1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]ethanone

C12H15ClN2O — CID 63844432

IUPAC1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(c2ccc(Cl)cn2)C1
InChIInChI=1S/C12H15ClN2O/c1-9(16)10-3-2-6-15(8-10)12-5-4-11(13)7-14-12/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeySXJJIHCHUCDFFD-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.54
Rot. Bonds2

About 1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]ethanone

1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]ethanone (PubChem CID 63844432) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]ethanone
PubChem CID63844432
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(c2ccc(Cl)cn2)C1
InChIInChI=1S/C12H15ClN2O/c1-9(16)10-3-2-6-15(8-10)12-5-4-11(13)7-14-12/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeySXJJIHCHUCDFFD-UHFFFAOYSA-N
XLogP2.54
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602453
1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]azepane
CID 133454485
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine
CID 115871255
N-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanesulfonamide
CID 163346294
(3S)-1-(5-amino-2-pyridinyl)piperidine-3-carboxamide
CID 30115330
1-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846340
[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 165434726
1-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]ethanone
CID 104606096
2-(5-chloro-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79035612
2-[3-(2-bromoethyl)piperidin-1-yl]-5-chloropyridine
CID 80679523

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]ethanone (CID 63844432) is 1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]ethanone is CC(=O)C1CCCN(c2ccc(Cl)cn2)C1.
What is the InChIKey of 1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]ethanone?
The InChIKey is SXJJIHCHUCDFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-9(16)10-3-2-6-15(8-10)12-5-4-11(13)7-14-12/h4-5,7,10H,2-3,6,8H2,1H3.
What are the key properties of 1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]ethanone?
1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]ethanone has a molecular weight of 238.72 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]ethanone is sourced from PubChem (CID 63844432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).