[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone

C18H19ClN2O2 — CID 56785827

IUPAC[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC(C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H19ClN2O2/c19-15-6-4-13(5-7-15)17(22)14-8-11-21(12-9-14)18(23)16-3-1-2-10-20-16/h1-7,10,14,17,22H,8-9,11-12H2
InChIKeyANGSMKQJXNHKDR-UHFFFAOYSA-N
MW330.81 g/mol
LogP3.32
Rot. Bonds3

About [4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone

[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 56785827) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.81 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID56785827
Molecular FormulaC18H19ClN2O2
Molecular Weight330.81 g/mol
Exact Mass330.11
IUPAC Name[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC(C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H19ClN2O2/c19-15-6-4-13(5-7-15)17(22)14-8-11-21(12-9-14)18(23)16-3-1-2-10-20-16/h1-7,10,14,17,22H,8-9,11-12H2
InChIKeyANGSMKQJXNHKDR-UHFFFAOYSA-N
XLogP3.32
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopyrazin-2-yl)-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111112295
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 111434266
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 111112276
2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119321789
(4-chloro-1H-pyrrol-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 38479790
[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 94173190
6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053727
(2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one
CID 119321782
N-(4-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 110884355
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 56820453
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 112841348
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone (CID 56785827) is [4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCC(C(O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is ANGSMKQJXNHKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-15-6-4-13(5-7-15)17(22)14-8-11-21(12-9-14)18(23)16-3-1-2-10-20-16/h1-7,10,14,17,22H,8-9,11-12H2.
What are the key properties of [4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone?
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 330.81 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 56785827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).