(4-chloro-2-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone

C15H21ClN2O — CID 55164875

IUPAC(4-chloro-2-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
SMILESCCC1(CC)CCN(C(=O)c2cc(Cl)ccn2)CC1
InChIInChI=1S/C15H21ClN2O/c1-3-15(4-2)6-9-18(10-7-15)14(19)13-11-12(16)5-8-17-13/h5,8,11H,3-4,6-7,9-10H2,1-2H3
InChIKeyOCCKOBJPZFGJBI-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.78
Rot. Bonds3

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

(4-chloro-2-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone (PubChem CID 55164875) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is (4-chloro-2-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
PubChem CID55164875
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name(4-chloro-2-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
SMILESCCC1(CC)CCN(C(=O)c2cc(Cl)ccn2)CC1
InChIInChI=1S/C15H21ClN2O/c1-3-15(4-2)6-9-18(10-7-15)14(19)13-11-12(16)5-8-17-13/h5,8,11H,3-4,6-7,9-10H2,1-2H3
InChIKeyOCCKOBJPZFGJBI-UHFFFAOYSA-N
XLogP3.78
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706730
ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate
CID 43216980
2-[4-(4-chloropyridine-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 62823041
2-[4-(4-chloropyridine-2-carbonyl)piperazin-1-yl]acetonitrile
CID 103714855
2-[4-(4-chloropyridine-2-carbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 78858873
(4-chloro-6-methyl-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 81227303
(4-chloro-2-pyridinyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 43019993
(2,6-dichloro-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 106993810
(2-chloro-5-sulfanylphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107029313
(3-bromo-5-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107952407
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-chloro-2-pyridinyl)methanone
CID 81104059
2-[1-(4-chloropyridine-2-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63870387

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone?
The IUPAC name of (4-chloro-2-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone (CID 55164875) is (4-chloro-2-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-chloro-2-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-chloro-2-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone is CCC1(CC)CCN(C(=O)c2cc(Cl)ccn2)CC1.
What is the InChIKey of (4-chloro-2-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone?
The InChIKey is OCCKOBJPZFGJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-3-15(4-2)6-9-18(10-7-15)14(19)13-11-12(16)5-8-17-13/h5,8,11H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of (4-chloro-2-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone?
(4-chloro-2-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone has a molecular weight of 280.80 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone is sourced from PubChem (CID 55164875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).