4-benzyl-1-[(4-ethoxyphenyl)methyl]piperidine

C21H27NO — CID 1377120

IUPAC4-benzyl-1-[(4-ethoxyphenyl)methyl]piperidine
SMILESCCOc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27NO/c1-2-23-21-10-8-20(9-11-21)17-22-14-12-19(13-15-22)16-18-6-4-3-5-7-18/h3-11,19H,2,12-17H2,1H3
InChIKeyUKGWAZWUXJBYRL-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.54
Rot. Bonds6

About 4-benzyl-1-[(4-ethoxyphenyl)methyl]piperidine

4-benzyl-1-[(4-ethoxyphenyl)methyl]piperidine (PubChem CID 1377120) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 4-benzyl-1-[(4-ethoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[(4-ethoxyphenyl)methyl]piperidine
PubChem CID1377120
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name4-benzyl-1-[(4-ethoxyphenyl)methyl]piperidine
SMILESCCOc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27NO/c1-2-23-21-10-8-20(9-11-21)17-22-14-12-19(13-15-22)16-18-6-4-3-5-7-18/h3-11,19H,2,12-17H2,1H3
InChIKeyUKGWAZWUXJBYRL-UHFFFAOYSA-N
XLogP4.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-benzyl-1-[(4-ethoxyphenyl)methyl]piperidine 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

Benzethonium Chloride
CID 8478
Tesmilifene
CID 108092
Benzethonium
CID 2335
(+)-Femoxetine
CID 3012003
Bephenium
CID 19667
1-(3-(4-(1-Piperidinylmethyl)phenoxy)propyl)piperidine
CID 2766326
Benproperine
CID 2326
UK 78282
CID 656768
4-(3-{4-[(R)-Amino(Cyclopentyl)phenylmethyl]piperidin-1-Yl}propoxy)benzonitrile
CID 71777747
Amotriphene
CID 11283
Methoxydine
CID 15100753
1-(4-Methoxybenzyl)azepane
CID 763595

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(4-ethoxyphenyl)methyl]piperidine?
The IUPAC name of 4-benzyl-1-[(4-ethoxyphenyl)methyl]piperidine (CID 1377120) is 4-benzyl-1-[(4-ethoxyphenyl)methyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[(4-ethoxyphenyl)methyl]piperidine?
The canonical SMILES for 4-benzyl-1-[(4-ethoxyphenyl)methyl]piperidine is CCOc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzyl-1-[(4-ethoxyphenyl)methyl]piperidine?
The InChIKey is UKGWAZWUXJBYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-2-23-21-10-8-20(9-11-21)17-22-14-12-19(13-15-22)16-18-6-4-3-5-7-18/h3-11,19H,2,12-17H2,1H3.
What are the key properties of 4-benzyl-1-[(4-ethoxyphenyl)methyl]piperidine?
4-benzyl-1-[(4-ethoxyphenyl)methyl]piperidine has a molecular weight of 309.45 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(4-ethoxyphenyl)methyl]piperidine is sourced from PubChem (CID 1377120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).