1-[4-(2-phenylethyl)phenyl]-2-piperidin-1-ylethanone

C21H25NO — CID 54451511

IUPAC1-[4-(2-phenylethyl)phenyl]-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C21H25NO/c23-21(17-22-15-5-2-6-16-22)20-13-11-19(12-14-20)10-9-18-7-3-1-4-8-18/h1,3-4,7-8,11-14H,2,5-6,9-10,15-17H2
InChIKeyWVHONRKMDWMJKP-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.14
Rot. Bonds6

About 1-[4-(2-phenylethyl)phenyl]-2-piperidin-1-ylethanone

1-[4-(2-phenylethyl)phenyl]-2-piperidin-1-ylethanone (PubChem CID 54451511) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[4-(2-phenylethyl)phenyl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[4-(2-phenylethyl)phenyl]-2-piperidin-1-ylethanone
PubChem CID54451511
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name1-[4-(2-phenylethyl)phenyl]-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C21H25NO/c23-21(17-22-15-5-2-6-16-22)20-13-11-19(12-14-20)10-9-18-7-3-1-4-8-18/h1,3-4,7-8,11-14H,2,5-6,9-10,15-17H2
InChIKeyWVHONRKMDWMJKP-UHFFFAOYSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(2-phenylethyl)phenyl]-2-piperidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219358
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219356
1-[4-(chloromethyl)phenyl]-2-pyrrolidin-1-ylethanone
CID 154989452
1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 13302047
1-(azepan-1-yl)-3-phenylpropan-2-one
CID 43794492
ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone
CID 156853457
3-(2-pyrrolidin-1-ylacetyl)benzoic acid
CID 115039403
1-(4-aminophenyl)-2-(4-benzylpiperazin-1-yl)ethanone;trihydrochloride
CID 86606198
1-(4-propylphenyl)-2-(1,4-thiazepan-4-yl)ethanone
CID 62030887
1-[2-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 11810626
2-(4-methylpiperazin-1-yl)-1-[4-[5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pentyl]phenyl]ethanone
CID 170861790
1-[4-(diethylamino)phenyl]-2-piperidin-1-ylethanone
CID 93193971

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-phenylethyl)phenyl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[4-(2-phenylethyl)phenyl]-2-piperidin-1-ylethanone (CID 54451511) is 1-[4-(2-phenylethyl)phenyl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[4-(2-phenylethyl)phenyl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[4-(2-phenylethyl)phenyl]-2-piperidin-1-ylethanone is O=C(CN1CCCCC1)c1ccc(CCc2ccccc2)cc1.
What is the InChIKey of 1-[4-(2-phenylethyl)phenyl]-2-piperidin-1-ylethanone?
The InChIKey is WVHONRKMDWMJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c23-21(17-22-15-5-2-6-16-22)20-13-11-19(12-14-20)10-9-18-7-3-1-4-8-18/h1,3-4,7-8,11-14H,2,5-6,9-10,15-17H2.
What are the key properties of 1-[4-(2-phenylethyl)phenyl]-2-piperidin-1-ylethanone?
1-[4-(2-phenylethyl)phenyl]-2-piperidin-1-ylethanone has a molecular weight of 307.44 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-phenylethyl)phenyl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 54451511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).