(4-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

C12H15ClN2O2 — CID 80706730

IUPAC(4-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cc(Cl)ccn2)CC1
InChIInChI=1S/C12H15ClN2O2/c1-12(17)3-6-15(7-4-12)11(16)10-8-9(13)2-5-14-10/h2,5,8,17H,3-4,6-7H2,1H3
InChIKeyHETACODLEFYJNG-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.72
Rot. Bonds1

About (4-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

(4-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 80706730) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is (4-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID80706730
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name(4-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cc(Cl)ccn2)CC1
InChIInChI=1S/C12H15ClN2O2/c1-12(17)3-6-15(7-4-12)11(16)10-8-9(13)2-5-14-10/h2,5,8,17H,3-4,6-7H2,1H3
InChIKeyHETACODLEFYJNG-UHFFFAOYSA-N
XLogP1.72
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-2-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 55164875
(4-amino-3-methylphenyl)-[4-(4-chloropyridine-2-carbonyl)piperazin-1-yl]methanone
CID 146321445
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-chloro-2-pyridinyl)methanone
CID 81104059
(4-chloro-1H-pyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706740
(5-chloro-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 115532894
(3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80707064
(2-bromo-4-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103766520
2-[4-(4-chloropyridine-2-carbonyl)piperazin-1-yl]acetonitrile
CID 103714855
(4,4-dimethylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone
CID 62930528
(5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727395
ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate
CID 43216980
(4-chloro-2-pyridinyl)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methanone
CID 86788553

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (CID 80706730) is (4-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is CC1(O)CCN(C(=O)c2cc(Cl)ccn2)CC1.
What is the InChIKey of (4-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is HETACODLEFYJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-12(17)3-6-15(7-4-12)11(16)10-8-9(13)2-5-14-10/h2,5,8,17H,3-4,6-7H2,1H3.
What are the key properties of (4-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
(4-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 254.72 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 80706730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).