(4-chloro-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone

C11H13ClN2O2 — CID 81226182

IUPAC(4-chloro-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cnccc1Cl)N1CCC(O)CC1
InChIInChI=1S/C11H13ClN2O2/c12-10-1-4-13-7-9(10)11(16)14-5-2-8(15)3-6-14/h1,4,7-8,15H,2-3,5-6H2
InChIKeyQVLVMUOIAOFMLE-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.33
Rot. Bonds1

About (4-chloro-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone

(4-chloro-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 81226182) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is (4-chloro-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID81226182
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name(4-chloro-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cnccc1Cl)N1CCC(O)CC1
InChIInChI=1S/C11H13ClN2O2/c12-10-1-4-13-7-9(10)11(16)14-5-2-8(15)3-6-14/h1,4,7-8,15H,2-3,5-6H2
InChIKeyQVLVMUOIAOFMLE-UHFFFAOYSA-N
XLogP1.33
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103873753
(4-chloro-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 81225158
[4-(4-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 81225735
(3-fluoro-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 64950699
(4-chloro-3-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 81226397
(4-chloro-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81232947
(4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone
CID 66482030
8-azaspiro[4.5]decan-8-yl-(4-chloro-3-pyridinyl)methanone
CID 81226318
(4-chloro-3-pyridinyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 81232347
(4-chloro-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 81226471
2-[4-(4-chloropyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 114036479
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(4-chloro-3-pyridinyl)methanone
CID 81226844

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (4-chloro-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone (CID 81226182) is (4-chloro-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-chloro-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (4-chloro-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone is O=C(c1cnccc1Cl)N1CCC(O)CC1.
What is the InChIKey of (4-chloro-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is QVLVMUOIAOFMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-10-1-4-13-7-9(10)11(16)14-5-2-8(15)3-6-14/h1,4,7-8,15H,2-3,5-6H2.
What are the key properties of (4-chloro-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone?
(4-chloro-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 240.69 g/mol, XLogP of 1.33, 1 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-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 81226182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).