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

C13H18ClN3O — CID 66483205

IUPAC(3-chloro-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCCN1C(=O)c1ccncc1Cl
InChIInChI=1S/C13H18ClN3O/c1-15-8-10-4-2-3-7-17(10)13(18)11-5-6-16-9-12(11)14/h5-6,9-10,15H,2-4,7-8H2,1H3
InChIKeyBZSJDKBLKQZHFP-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.95
Rot. Bonds3

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

(3-chloro-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 66483205) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID66483205
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name(3-chloro-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCCN1C(=O)c1ccncc1Cl
InChIInChI=1S/C13H18ClN3O/c1-15-8-10-4-2-3-7-17(10)13(18)11-5-6-16-9-12(11)14/h5-6,9-10,15H,2-4,7-8H2,1H3
InChIKeyBZSJDKBLKQZHFP-UHFFFAOYSA-N
XLogP1.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxy-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 105064068
3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120580168
[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 63249644
[2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 81482675
[2-(3-chloropropyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66472291
[2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone;dihydrochloride
CID 119632894
(3-chloro-2-methylphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 107098111
(2-chloro-4-iodophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119649835
(2-chloro-4-iodophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649834
(4-chloro-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 81225917
1-(3-chloropyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 66462594
[2-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66483593

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-chloro-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone (CID 66483205) is (3-chloro-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCCCN1C(=O)c1ccncc1Cl.
What is the InChIKey of (3-chloro-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is BZSJDKBLKQZHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-15-8-10-4-2-3-7-17(10)13(18)11-5-6-16-9-12(11)14/h5-6,9-10,15H,2-4,7-8H2,1H3.
What are the key properties of (3-chloro-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
(3-chloro-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 267.76 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 66483205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).