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

C12H15ClN2O2 — CID 81225158

IUPAC(4-chloro-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cnccc1Cl)N1CCC(CO)CC1
InChIInChI=1S/C12H15ClN2O2/c13-11-1-4-14-7-10(11)12(17)15-5-2-9(8-16)3-6-15/h1,4,7,9,16H,2-3,5-6,8H2
InChIKeyICPBXTIUYPNVKI-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.58
Rot. Bonds2

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

(4-chloro-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 81225158) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is (4-chloro-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID81225158
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name(4-chloro-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cnccc1Cl)N1CCC(CO)CC1
InChIInChI=1S/C12H15ClN2O2/c13-11-1-4-14-7-10(11)12(17)15-5-2-9(8-16)3-6-15/h1,4,7,9,16H,2-3,5-6,8H2
InChIKeyICPBXTIUYPNVKI-UHFFFAOYSA-N
XLogP1.58
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 81226182
[4-(4-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 81225735
(4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103873753
[4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 81234775
(4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone
CID 66482030
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443611
(4-chloro-3-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 81226397
(3-chloro-4-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66464424
2-[4-(4-chloropyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 114036479
(4-chloro-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 81225917
(4-chloro-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81232947
(2-chloro-4,5-dimethylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110028121

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone (CID 81225158) is (4-chloro-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1cnccc1Cl)N1CCC(CO)CC1.
What is the InChIKey of (4-chloro-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is ICPBXTIUYPNVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-11-1-4-14-7-10(11)12(17)15-5-2-9(8-16)3-6-15/h1,4,7,9,16H,2-3,5-6,8H2.
What are the key properties of (4-chloro-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
(4-chloro-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 254.72 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 81225158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).