CAS 767582-67-2

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4-fluoro-2-hydroxyphenyl)-piperidin-4-ylmethanone

2.1.2 InChI

InChI=1S/C12H14FNO2/c13-9-1-2-10(11(15)7-9)12(16)8-3-5-14-6-4-8/h1-2,7-8,14-15H,3-6H2

2.1.3 InChI Key

DOTNAUSRXQAKRZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNCCC1C(=O)C2=C(C=C(C=C2)F)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Zinc39376005

2. 767582-67-2

3. A1-01435

4. Methanone, (4-fluoro-2-hydroxyphenyl)-4-piperidinyl,

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₄FNO₂
Molecular Weight	223.24 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	223.10085685 g/mol
Monoisotopic Mass	223.10085685 g/mol
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	253
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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