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

C12H15ClN2O2 — CID 66464424

IUPAC(3-chloro-4-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccncc1Cl)N1CCCC(CO)C1
InChIInChI=1S/C12H15ClN2O2/c13-11-6-14-4-3-10(11)12(17)15-5-1-2-9(7-15)8-16/h3-4,6,9,16H,1-2,5,7-8H2
InChIKeyXITNQSDWCTZXKI-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.58
Rot. Bonds2

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

(3-chloro-4-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 66464424) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID66464424
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name(3-chloro-4-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccncc1Cl)N1CCCC(CO)C1
InChIInChI=1S/C12H15ClN2O2/c13-11-6-14-4-3-10(11)12(17)15-5-1-2-9(7-15)8-16/h3-4,6,9,16H,1-2,5,7-8H2
InChIKeyXITNQSDWCTZXKI-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

[3-(aminomethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66484755
[(3R)-3-aminopiperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 102978397
(3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81118358
(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43589993
[3-(4-hydroxybut-1-ynyl)-4-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66484784
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443611
[3-(chloromethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64955803
(4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone
CID 66482030
(4-chloro-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 81225158
[3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
CID 63392881
[3-(bromomethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 80660398
(2,4-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348194

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-chloro-4-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 66464424) is (3-chloro-4-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-4-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-4-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1ccncc1Cl)N1CCCC(CO)C1.
What is the InChIKey of (3-chloro-4-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is XITNQSDWCTZXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-11-6-14-4-3-10(11)12(17)15-5-1-2-9(7-15)8-16/h3-4,6,9,16H,1-2,5,7-8H2.
What are the key properties of (3-chloro-4-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(3-chloro-4-pyridinyl)-[3-(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 (3-chloro-4-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 66464424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).