(4-phenoxyphenyl)-piperidin-1-ylmethanone

C18H19NO2 — CID 112759363

IUPAC(4-phenoxyphenyl)-piperidin-1-ylmethanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)N1CCCCC1
InChIInChI=1S/C18H19NO2/c20-18(19-13-5-2-6-14-19)15-9-11-17(12-10-15)21-16-7-3-1-4-8-16/h1,3-4,7-12H,2,5-6,13-14H2
InChIKeyWQWVVLUTNXEZMS-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.11
Rot. Bonds3

About (4-phenoxyphenyl)-piperidin-1-ylmethanone

(4-phenoxyphenyl)-piperidin-1-ylmethanone (PubChem CID 112759363) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (4-phenoxyphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-phenoxyphenyl)-piperidin-1-ylmethanone
PubChem CID112759363
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(4-phenoxyphenyl)-piperidin-1-ylmethanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)N1CCCCC1
InChIInChI=1S/C18H19NO2/c20-18(19-13-5-2-6-14-19)15-9-11-17(12-10-15)21-16-7-3-1-4-8-16/h1,3-4,7-12H,2,5-6,13-14H2
InChIKeyWQWVVLUTNXEZMS-UHFFFAOYSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615147
1-[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 39980027
4-phenoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532346
2-[4-(4-phenoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 8893050
1,4-diazepan-1-yl-(4-phenoxyphenyl)methanone;hydrochloride
CID 119414642
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089
1-(4-phenoxybenzoyl)piperidine-3-carboxamide
CID 18159127
ethyl 4-(4-phenoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808983
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
[(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 51458046
(4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
CID 55584193
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830

Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (4-phenoxyphenyl)-piperidin-1-ylmethanone (CID 112759363) is (4-phenoxyphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-phenoxyphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-phenoxyphenyl)-piperidin-1-ylmethanone is O=C(c1ccc(Oc2ccccc2)cc1)N1CCCCC1.
What is the InChIKey of (4-phenoxyphenyl)-piperidin-1-ylmethanone?
The InChIKey is WQWVVLUTNXEZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18(19-13-5-2-6-14-19)15-9-11-17(12-10-15)21-16-7-3-1-4-8-16/h1,3-4,7-12H,2,5-6,13-14H2.
What are the key properties of (4-phenoxyphenyl)-piperidin-1-ylmethanone?
(4-phenoxyphenyl)-piperidin-1-ylmethanone has a molecular weight of 281.36 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 112759363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).