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

C13H18ClN3O — CID 66483593

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
SMILESCC(N)C1CCCCN1C(=O)c1ccncc1Cl
InChIInChI=1S/C13H18ClN3O/c1-9(15)12-4-2-3-7-17(12)13(18)10-5-6-16-8-11(10)14/h5-6,8-9,12H,2-4,7,15H2,1H3
InChIKeyNEFRVDHBQGOZMB-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.08
Rot. Bonds2

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

[2-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone (PubChem CID 66483593) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
PubChem CID66483593
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
SMILESCC(N)C1CCCCN1C(=O)c1ccncc1Cl
InChIInChI=1S/C13H18ClN3O/c1-9(15)12-4-2-3-7-17(12)13(18)10-5-6-16-8-11(10)14/h5-6,8-9,12H,2-4,7,15H2,1H3
InChIKeyNEFRVDHBQGOZMB-UHFFFAOYSA-N
XLogP2.08
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443198
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106862126
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-iodophenyl)methanone
CID 119435609
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038925
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038922
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone
CID 119436569
1-(3-chloropyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 66462594
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-chlorophenyl)methanone
CID 63255328
[2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 81482675
[2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone;dihydrochloride
CID 119632894
(3-chloro-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 66483205
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dichloro-5-methylsulfanylphenyl)methanone;hydrochloride
CID 119435727

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone (CID 66483593) is [2-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone is CC(N)C1CCCCN1C(=O)c1ccncc1Cl.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone?
The InChIKey is NEFRVDHBQGOZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-9(15)12-4-2-3-7-17(12)13(18)10-5-6-16-8-11(10)14/h5-6,8-9,12H,2-4,7,15H2,1H3.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone?
[2-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone has a molecular weight of 267.76 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone is sourced from PubChem (CID 66483593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).