[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-phenylmethanone

C18H19ClN2O2 — CID 163351634

IUPAC[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC(COc2ncccc2Cl)C1
InChIInChI=1S/C18H19ClN2O2/c19-16-9-4-10-20-17(16)23-13-14-6-5-11-21(12-14)18(22)15-7-2-1-3-8-15/h1-4,7-10,14H,5-6,11-13H2
InChIKeyIIPSQPUWGMDYJI-UHFFFAOYSA-N
MW330.81 g/mol
LogP3.67
Rot. Bonds4

About [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-phenylmethanone

[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-phenylmethanone (PubChem CID 163351634) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.81 g/mol. Its IUPAC name is [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-phenylmethanone
PubChem CID163351634
Molecular FormulaC18H19ClN2O2
Molecular Weight330.81 g/mol
Exact Mass330.11
IUPAC Name[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC(COc2ncccc2Cl)C1
InChIInChI=1S/C18H19ClN2O2/c19-16-9-4-10-20-17(16)23-13-14-6-5-11-21(12-14)18(22)15-7-2-1-3-8-15/h1-4,7-10,14H,5-6,11-13H2
InChIKeyIIPSQPUWGMDYJI-UHFFFAOYSA-N
XLogP3.67
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 163353270
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 163353514
N-tert-butyl-3-[(3-chloro-2-pyridinyl)oxymethyl]piperidine-1-carboxamide
CID 163353325
3-[(3-chloro-2-pyridinyl)oxymethyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 163353441
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638623
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 163354080
[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone
CID 95097695
[4-[[(3R)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
CID 95097466
[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 94979993
[3-[[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
CID 92900752
[4-[[(3R)-1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097554
(3S)-3-[(2-bromo-3-pyridinyl)oxymethyl]piperidine-1-carboxylic acid
CID 143633716

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-phenylmethanone (CID 163351634) is [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCCC(COc2ncccc2Cl)C1.
What is the InChIKey of [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-phenylmethanone?
The InChIKey is IIPSQPUWGMDYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-16-9-4-10-20-17(16)23-13-14-6-5-11-21(12-14)18(22)15-7-2-1-3-8-15/h1-4,7-10,14H,5-6,11-13H2.
What are the key properties of [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-phenylmethanone?
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-phenylmethanone has a molecular weight of 330.81 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 163351634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).