4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol

C21H27NO2 — CID 3441291

IUPAC4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol
SMILESCCOc1cc(CN2CCC(Cc3ccccc3)CC2)ccc1O
InChIInChI=1S/C21H27NO2/c1-2-24-21-15-19(8-9-20(21)23)16-22-12-10-18(11-13-22)14-17-6-4-3-5-7-17/h3-9,15,18,23H,2,10-14,16H2,1H3
InChIKeyDARSOXDQJUTIKL-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.25
Rot. Bonds6

About 4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol

4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol (PubChem CID 3441291) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol
PubChem CID3441291
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol
SMILESCCOc1cc(CN2CCC(Cc3ccccc3)CC2)ccc1O
InChIInChI=1S/C21H27NO2/c1-2-24-21-15-19(8-9-20(21)23)16-22-12-10-18(11-13-22)14-17-6-4-3-5-7-17/h3-9,15,18,23H,2,10-14,16H2,1H3
InChIKeyDARSOXDQJUTIKL-UHFFFAOYSA-N
XLogP4.25
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol 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

2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid
CID 28701059
2-ethoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981139
4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 765092
4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine
CID 1376263
N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethylpiperidine-4-carboxamide
CID 3589734
N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 17388879
2-ethoxy-4-(piperazin-1-ylmethyl)phenol
CID 54914762
1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 5180016
4-benzyl-1-[(2-ethoxyphenyl)methyl]piperidine;oxalic acid
CID 163328313
N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
CID 126467965
5-[(4-benzylpiperidin-1-yl)methyl]-2-methoxyaniline
CID 39448734
2-ethoxy-4-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 106590288

Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol?
The IUPAC name of 4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol (CID 3441291) is 4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol?
The canonical SMILES for 4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol is CCOc1cc(CN2CCC(Cc3ccccc3)CC2)ccc1O.
What is the InChIKey of 4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol?
The InChIKey is DARSOXDQJUTIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-2-24-21-15-19(8-9-20(21)23)16-22-12-10-18(11-13-22)14-17-6-4-3-5-7-17/h3-9,15,18,23H,2,10-14,16H2,1H3.
What are the key properties of 4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol?
4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol has a molecular weight of 325.45 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol is sourced from PubChem (CID 3441291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).