1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]ethanone

C14H20N2O — CID 63845672

IUPAC1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1CCc1ccccn1
InChIInChI=1S/C14H20N2O/c1-12(17)14-7-3-5-10-16(14)11-8-13-6-2-4-9-15-13/h2,4,6,9,14H,3,5,7-8,10-11H2,1H3
InChIKeyYTODWHRCIDZPPC-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.07
Rot. Bonds4

About 1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]ethanone

1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]ethanone (PubChem CID 63845672) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]ethanone
PubChem CID63845672
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1CCc1ccccn1
InChIInChI=1S/C14H20N2O/c1-12(17)14-7-3-5-10-16(14)11-8-13-6-2-4-9-15-13/h2,4,6,9,14H,3,5,7-8,10-11H2,1H3
InChIKeyYTODWHRCIDZPPC-UHFFFAOYSA-N
XLogP2.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate
CID 94335033
N-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 47027276
1-[(2R)-2-[(2S)-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95613097
1-(2-pyridin-2-ylethyl)piperidine-2-carbaldehyde
CID 62656596
1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]propan-1-ol
CID 111333426
1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid
CID 3310789
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
2-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339128
3-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]propan-1-ol
CID 62468527
methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
CID 60648150
[3-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]methanol
CID 102788197
(3R)-8-acetyl-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95875140

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]ethanone?
The IUPAC name of 1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]ethanone (CID 63845672) is 1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]ethanone is CC(=O)C1CCCCN1CCc1ccccn1.
What is the InChIKey of 1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]ethanone?
The InChIKey is YTODWHRCIDZPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-12(17)14-7-3-5-10-16(14)11-8-13-6-2-4-9-15-13/h2,4,6,9,14H,3,5,7-8,10-11H2,1H3.
What are the key properties of 1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]ethanone?
1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]ethanone has a molecular weight of 232.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]ethanone is sourced from PubChem (CID 63845672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).