4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol

C25H27NO2 — CID 22729919

IUPAC4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol
SMILESCOc1cccc(C2(c3ccc(O)cc3)CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C25H27NO2/c1-28-24-9-5-8-22(18-24)25(21-10-12-23(27)13-11-21)14-16-26(17-15-25)19-20-6-3-2-4-7-20/h2-13,18,27H,14-17,19H2,1H3
InChIKeyITQAGGFNZPQFNA-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.98
Rot. Bonds5

About 4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol

4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol (PubChem CID 22729919) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol.

Molecular Properties

Compound Name4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol
PubChem CID22729919
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol
SMILESCOc1cccc(C2(c3ccc(O)cc3)CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C25H27NO2/c1-28-24-9-5-8-22(18-24)25(21-10-12-23(27)13-11-21)14-16-26(17-15-25)19-20-6-3-2-4-7-20/h2-13,18,27H,14-17,19H2,1H3
InChIKeyITQAGGFNZPQFNA-UHFFFAOYSA-N
XLogP4.98
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(3-methoxyphenyl)-4-(4-thiophen-2-ylphenyl)piperidine
CID 22729934
1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride
CID 67562153
1-benzyl-4-(3-methoxyphenyl)-N-oxopiperidine-4-carboxamide
CID 57241703
4-[1-benzyl-3-(3-methoxyphenyl)piperidin-3-yl]-N,N-diethylbenzamide
CID 12968707
4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol
CID 1446411
2-[(4-benzylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 783532
[1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine
CID 95504616
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
4-[1-benzyl-4-(3-methoxy-4-methylphenyl)piperidin-4-yl]-N,N-diethylbenzamide
CID 22729938
4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]phenol
CID 78833986
(4aR,8aS)-2-benzyl-8a-hydroxy-4a-(3-methoxyphenyl)-1,3,4,5,7,8-hexahydroisoquinolin-6-one
CID 67693160
N-[[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]methyl]-6-methoxycyclohexa-1,5-diene-1-carboxamide
CID 142821284

Frequently Asked Questions

What is the IUPAC name of 4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol?
The IUPAC name of 4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol (CID 22729919) is 4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol.
What is the SMILES notation for 4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol?
The canonical SMILES for 4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol is COc1cccc(C2(c3ccc(O)cc3)CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol?
The InChIKey is ITQAGGFNZPQFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c1-28-24-9-5-8-22(18-24)25(21-10-12-23(27)13-11-21)14-16-26(17-15-25)19-20-6-3-2-4-7-20/h2-13,18,27H,14-17,19H2,1H3.
What are the key properties of 4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol?
4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol has a molecular weight of 373.50 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol is sourced from PubChem (CID 22729919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).