1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanone

C12H15ClN2O — CID 126758698

IUPAC1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cccnc2Cl)CC1
InChIInChI=1S/C12H15ClN2O/c1-9(16)15-7-4-10(5-8-15)11-3-2-6-14-12(11)13/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyIDGXSSPDWFWERT-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.46
Rot. Bonds1

About 1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanone

1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanone (PubChem CID 126758698) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanone
PubChem CID126758698
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cccnc2Cl)CC1
InChIInChI=1S/C12H15ClN2O/c1-9(16)15-7-4-10(5-8-15)11-3-2-6-14-12(11)13/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyIDGXSSPDWFWERT-UHFFFAOYSA-N
XLogP2.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(2-chloro-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 175662189
1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone
CID 58547694
1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanamine
CID 174586694
1-[4-[2-[1-(4-chloro-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 58548110
1-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 58548087
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 58548003
(2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61226414
1-[4-(4-chloro-2-hydroxyphenyl)piperidin-1-yl]ethanone
CID 140512858
2-(1-acetylpiperidin-4-yl)-4-chlorobenzaldehyde
CID 88817221
1-[4-[(2-chloro-3-pyridinyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110102478
1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798593

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanone (CID 126758698) is 1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cccnc2Cl)CC1.
What is the InChIKey of 1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanone?
The InChIKey is IDGXSSPDWFWERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-9(16)15-7-4-10(5-8-15)11-3-2-6-14-12(11)13/h2-3,6,10H,4-5,7-8H2,1H3.
What are the key properties of 1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanone?
1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanone has a molecular weight of 238.72 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 126758698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).