4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol

C20H25NO2 — CID 10086803

IUPAC4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
SMILESOc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25NO2/c22-19-6-8-20(9-7-19)23-15-14-21-12-10-18(11-13-21)16-17-4-2-1-3-5-17/h1-9,18,22H,10-16H2
InChIKeyCSOKNRXDEKJUFZ-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.73
Rot. Bonds6

About 4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol

4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol (PubChem CID 10086803) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol.

Molecular Properties

Compound Name4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
PubChem CID10086803
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
SMILESOc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25NO2/c22-19-6-8-20(9-7-19)23-15-14-21-12-10-18(11-13-21)16-17-4-2-1-3-5-17/h1-9,18,22H,10-16H2
InChIKeyCSOKNRXDEKJUFZ-UHFFFAOYSA-N
XLogP3.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid
CID 2923141
4-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
CID 23294365
[4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate
CID 15952046
4-[(2-chlorophenyl)methyl]-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine
CID 70293631
2-[4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenoxy]-1,3-benzothiazole
CID 67303541
4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride
CID 23294547
4-[2-[4-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
CID 23294474
1-(4-benzylpiperidin-1-yl)-4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]butane-1,4-dione
CID 86278511
4-benzyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 23294464
[1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119909793
1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride
CID 117067777
(E)-1-[4-[4-(4-benzylpiperidin-1-yl)butoxy]-2-hydroxyphenyl]-3-[4-[4-(4-benzylpiperidin-1-yl)butoxy]phenyl]prop-2-en-1-one
CID 155536307

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol?
The IUPAC name of 4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol (CID 10086803) is 4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol.
What is the SMILES notation for 4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol?
The canonical SMILES for 4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol is Oc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol?
The InChIKey is CSOKNRXDEKJUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c22-19-6-8-20(9-7-19)23-15-14-21-12-10-18(11-13-21)16-17-4-2-1-3-5-17/h1-9,18,22H,10-16H2.
What are the key properties of 4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol?
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol has a molecular weight of 311.43 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol is sourced from PubChem (CID 10086803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).