[2-(1-phenoxyethyl)piperidin-1-yl]-phenylmethanone

C20H23NO2 — CID 90696413

IUPAC[2-(1-phenoxyethyl)piperidin-1-yl]-phenylmethanone
SMILESCC(Oc1ccccc1)C1CCCCN1C(=O)c1ccccc1
InChIInChI=1S/C20H23NO2/c1-16(23-18-12-6-3-7-13-18)19-14-8-9-15-21(19)20(22)17-10-4-2-5-11-17/h2-7,10-13,16,19H,8-9,14-15H2,1H3
InChIKeyJSLXCWABFWADNX-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.15
Rot. Bonds4

About [2-(1-phenoxyethyl)piperidin-1-yl]-phenylmethanone

[2-(1-phenoxyethyl)piperidin-1-yl]-phenylmethanone (PubChem CID 90696413) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is [2-(1-phenoxyethyl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(1-phenoxyethyl)piperidin-1-yl]-phenylmethanone
PubChem CID90696413
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name[2-(1-phenoxyethyl)piperidin-1-yl]-phenylmethanone
SMILESCC(Oc1ccccc1)C1CCCCN1C(=O)c1ccccc1
InChIInChI=1S/C20H23NO2/c1-16(23-18-12-6-3-7-13-18)19-14-8-9-15-21(19)20(22)17-10-4-2-5-11-17/h2-7,10-13,16,19H,8-9,14-15H2,1H3
InChIKeyJSLXCWABFWADNX-UHFFFAOYSA-N
XLogP4.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2-(dimethoxymethyl)piperidin-1-yl]-phenylmethanone
CID 44540070
[2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119435796
1-[2-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 119437418
tert-butyl 2-[1-(3-phenoxyphenoxy)ethyl]piperidine-1-carboxylate
CID 69000587
N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119436674
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732
(2-hydroxypiperidin-1-yl)-phenylmethanone
CID 14920288
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038925
2-methylpropyl 1-benzoylpiperidine-2-carboxylate
CID 100995685
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038922
(2-ethoxypiperidin-1-yl)-phenylmethanone
CID 134988342
[2-(1-aminoethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 119434742

Frequently Asked Questions

What is the IUPAC name of [2-(1-phenoxyethyl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [2-(1-phenoxyethyl)piperidin-1-yl]-phenylmethanone (CID 90696413) is [2-(1-phenoxyethyl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [2-(1-phenoxyethyl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [2-(1-phenoxyethyl)piperidin-1-yl]-phenylmethanone is CC(Oc1ccccc1)C1CCCCN1C(=O)c1ccccc1.
What is the InChIKey of [2-(1-phenoxyethyl)piperidin-1-yl]-phenylmethanone?
The InChIKey is JSLXCWABFWADNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-16(23-18-12-6-3-7-13-18)19-14-8-9-15-21(19)20(22)17-10-4-2-5-11-17/h2-7,10-13,16,19H,8-9,14-15H2,1H3.
What are the key properties of [2-(1-phenoxyethyl)piperidin-1-yl]-phenylmethanone?
[2-(1-phenoxyethyl)piperidin-1-yl]-phenylmethanone has a molecular weight of 309.41 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-phenoxyethyl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 90696413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).