(3-chloro-4-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone

C13H17ClN2O — CID 66482590

IUPAC(3-chloro-4-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccncc2Cl)C1C
InChIInChI=1S/C13H17ClN2O/c1-9-4-3-7-16(10(9)2)13(17)11-5-6-15-8-12(11)14/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyFLUVOYSJZIEYSS-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.00
Rot. Bonds1

About (3-chloro-4-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone

(3-chloro-4-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone (PubChem CID 66482590) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone
PubChem CID66482590
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name(3-chloro-4-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccncc2Cl)C1C
InChIInChI=1S/C13H17ClN2O/c1-9-4-3-7-16(10(9)2)13(17)11-5-6-15-8-12(11)14/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyFLUVOYSJZIEYSS-UHFFFAOYSA-N
XLogP3.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[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
1-(3-chloropyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 66462594
[2-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66483593
[2-(3-chloropropyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66472291
(3-chloro-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 66483205
4-chloro-3-(2,3-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65397198
(3-chloro-4-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949710
[2-(3-bromophenyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66484320
[(3R)-3-aminopiperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 102978397
(2-amino-5-chlorophenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62123342
[5-chloro-2-(propylamino)-4-pyridinyl]-(2,3-dimethylpiperidin-1-yl)methanone
CID 114922446

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (3-chloro-4-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone (CID 66482590) is (3-chloro-4-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-chloro-4-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (3-chloro-4-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccncc2Cl)C1C.
What is the InChIKey of (3-chloro-4-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone?
The InChIKey is FLUVOYSJZIEYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-4-3-7-16(10(9)2)13(17)11-5-6-15-8-12(11)14/h5-6,8-10H,3-4,7H2,1-2H3.
What are the key properties of (3-chloro-4-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone?
(3-chloro-4-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone has a molecular weight of 252.74 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)-(2,3-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 66482590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).