(2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone

C12H13ClFNO2 — CID 93032513

IUPAC(2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCC[C@@H](O)C1
InChIInChI=1S/C12H13ClFNO2/c13-11-6-8(14)3-4-10(11)12(17)15-5-1-2-9(16)7-15/h3-4,6,9,16H,1-2,5,7H2/t9-/m1/s1
InChIKeyPDSSLIOVIQIBBL-SECBINFHSA-N
MW257.69 g/mol
LogP2.08
Rot. Bonds1

About (2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone

(2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 93032513) has the molecular formula C12H13ClFNO2 and a molecular weight of 257.69 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
PubChem CID93032513
Molecular FormulaC12H13ClFNO2
Molecular Weight257.69 g/mol
Exact Mass257.06
IUPAC Name(2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCC[C@@H](O)C1
InChIInChI=1S/C12H13ClFNO2/c13-11-6-8(14)3-4-10(11)12(17)15-5-1-2-9(16)7-15/h3-4,6,9,16H,1-2,5,7H2/t9-/m1/s1
InChIKeyPDSSLIOVIQIBBL-SECBINFHSA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.69
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916558
(2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 68625081
(2-chloro-4-fluorophenyl)-[3-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]methanone
CID 126805764
(5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 79883095
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
CID 119465102
(2-chloro-4-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone
CID 121130954
(4-chloro-2,5-difluorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 82772196
(2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205270
(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032488
(2-chloro-4-fluorophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608526
[1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51329356
(2-chloro-5-sulfanylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 107024550

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone (CID 93032513) is (2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone is O=C(c1ccc(F)cc1Cl)N1CCC[C@@H](O)C1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is PDSSLIOVIQIBBL-SECBINFHSA-N. The full InChI is InChI=1S/C12H13ClFNO2/c13-11-6-8(14)3-4-10(11)12(17)15-5-1-2-9(16)7-15/h3-4,6,9,16H,1-2,5,7H2/t9-/m1/s1.
What are the key properties of (2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone?
(2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 257.69 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 93032513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).