(2-chloro-3-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone

C13H15ClFNO2 — CID 114680247

IUPAC(2-chloro-3-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)c2cccc(F)c2Cl)CCC1O
InChIInChI=1S/C13H15ClFNO2/c1-8-7-16(6-5-11(8)17)13(18)9-3-2-4-10(15)12(9)14/h2-4,8,11,17H,5-7H2,1H3
InChIKeyQLYUCXRFAZFTCS-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.32
Rot. Bonds1

About (2-chloro-3-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone

(2-chloro-3-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 114680247) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID114680247
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name(2-chloro-3-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)c2cccc(F)c2Cl)CCC1O
InChIInChI=1S/C13H15ClFNO2/c1-8-7-16(6-5-11(8)17)13(18)9-3-2-4-10(15)12(9)14/h2-4,8,11,17H,5-7H2,1H3
InChIKeyQLYUCXRFAZFTCS-UHFFFAOYSA-N
XLogP2.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(2-chloro-3-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 129393963
(2-chloro-3-fluorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627294
(2-chloro-3-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 119564485
(2-amino-3-methylphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677500
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-chloro-3-fluorophenyl)methanone
CID 120814331
(2-chloro-3-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 81461895
(5-bromo-2-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678705
(4-bromo-3-methylpiperidin-1-yl)-(2,3-dichlorophenyl)methanone
CID 114683388
(2-bromo-3-fluorophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102958136
(3S,4S)-1-(3-fluoro-2-methylbenzoyl)-3-methylpiperidine-4-carboxylic acid
CID 154842624
(2-chloro-3-fluorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646459
(2-chloro-3-fluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934491

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-chloro-3-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (CID 114680247) is (2-chloro-3-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-chloro-3-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone is CC1CN(C(=O)c2cccc(F)c2Cl)CCC1O.
What is the InChIKey of (2-chloro-3-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is QLYUCXRFAZFTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c1-8-7-16(6-5-11(8)17)13(18)9-3-2-4-10(15)12(9)14/h2-4,8,11,17H,5-7H2,1H3.
What are the key properties of (2-chloro-3-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
(2-chloro-3-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 271.72 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 114680247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).