[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone

C18H20N2O2 — CID 110638786

IUPAC[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(COc2ccccc2)CC1
InChIInChI=1S/C18H20N2O2/c21-18(16-6-10-19-11-7-16)20-12-8-15(9-13-20)14-22-17-4-2-1-3-5-17/h1-7,10-11,15H,8-9,12-14H2
InChIKeyKBWBSYBSCWXCCZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.01
Rot. Bonds4

About [4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone

[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 110638786) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is [4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID110638786
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(COc2ccccc2)CC1
InChIInChI=1S/C18H20N2O2/c21-18(16-6-10-19-11-7-16)20-12-8-15(9-13-20)14-22-17-4-2-1-3-5-17/h1-7,10-11,15H,8-9,12-14H2
InChIKeyKBWBSYBSCWXCCZ-UHFFFAOYSA-N
XLogP3.01
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110639067
morpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone
CID 53150425
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110411687
1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]-2-phenoxyethanone
CID 53150450
2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 100667514
2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79615008
[4-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 53150391
1-phenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]methanesulfonamide
CID 121108054
[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95822311
4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
CID 110638783
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089

Frequently Asked Questions

What is the IUPAC name of [4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone (CID 110638786) is [4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCC(COc2ccccc2)CC1.
What is the InChIKey of [4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is KBWBSYBSCWXCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18(16-6-10-19-11-7-16)20-12-8-15(9-13-20)14-22-17-4-2-1-3-5-17/h1-7,10-11,15H,8-9,12-14H2.
What are the key properties of [4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 296.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 110638786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).