(2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone

C21H25NO2 — CID 55334521

IUPAC(2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone
SMILESCCC1CCCCN1C(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C21H25NO2/c1-2-19-8-6-7-15-22(19)21(23)18-13-11-17(12-14-18)16-24-20-9-4-3-5-10-20/h3-5,9-14,19H,2,6-8,15-16H2,1H3
InChIKeyMJFGACSRBTXCCB-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.67
Rot. Bonds5

About (2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone

(2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone (PubChem CID 55334521) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone
PubChem CID55334521
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name(2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone
SMILESCCC1CCCCN1C(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C21H25NO2/c1-2-19-8-6-7-15-22(19)21(23)18-13-11-17(12-14-18)16-24-20-9-4-3-5-10-20/h3-5,9-14,19H,2,6-8,15-16H2,1H3
InChIKeyMJFGACSRBTXCCB-UHFFFAOYSA-N
XLogP4.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 119632417
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119435796
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride
CID 119649052
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
[1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134041883
N-benzyl-4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzamide
CID 109047100
1-(2-ethylpiperidin-1-yl)-4-phenoxybutan-1-one
CID 2914939
[4-[(4-methoxyphenoxy)methyl]phenyl]-(2-methylpiperidin-1-yl)methanone
CID 122195788
4-(2-ethylpiperidine-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047836
1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046470

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone (CID 55334521) is (2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone is CCC1CCCCN1C(=O)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone?
The InChIKey is MJFGACSRBTXCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-2-19-8-6-7-15-22(19)21(23)18-13-11-17(12-14-18)16-24-20-9-4-3-5-10-20/h3-5,9-14,19H,2,6-8,15-16H2,1H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone?
(2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone has a molecular weight of 323.44 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone is sourced from PubChem (CID 55334521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).