3-[(4-benzylpiperazin-1-yl)methyl]phenol

C18H22N2O — CID 765964

IUPAC3-[(4-benzylpiperazin-1-yl)methyl]phenol
SMILESOc1cccc(CN2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C18H22N2O/c21-18-8-4-7-17(13-18)15-20-11-9-19(10-12-20)14-16-5-2-1-3-6-16/h1-8,13,21H,9-12,14-15H2
InChIKeyWMAGEFBUJAVGMR-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.71
Rot. Bonds4

About 3-[(4-benzylpiperazin-1-yl)methyl]phenol

3-[(4-benzylpiperazin-1-yl)methyl]phenol (PubChem CID 765964) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[(4-benzylpiperazin-1-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(4-benzylpiperazin-1-yl)methyl]phenol
PubChem CID765964
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-[(4-benzylpiperazin-1-yl)methyl]phenol
SMILESOc1cccc(CN2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C18H22N2O/c21-18-8-4-7-17(13-18)15-20-11-9-19(10-12-20)14-16-5-2-1-3-6-16/h1-8,13,21H,9-12,14-15H2
InChIKeyWMAGEFBUJAVGMR-UHFFFAOYSA-N
XLogP2.71
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4-benzylpiperazin-1-yl)methyl]phenol 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

Nap-226-90
CID 445892
3-(1-(1-Piperidinyl)cyclohexyl)phenol
CID 133277
Phenol, 3-(2-((2-phenylethyl)propylamino)ethyl)-, hydrochloride (1:1)
CID 114875
3-(1-Dimethylaminoethyl)phenol
CID 409441
1-Benzyl-4-(3-hydroxyphenyl)piperidine
CID 22397839
1-(3-Hydroxybenzyl)piperidine
CID 826974
SL-3111
CID 9909743
3-(2-Phenyl-2-(piperazin-1-yl)ethyl)phenol
CID 13904714
1-(3-Methoxybenzyl)-4-(3-phenylpropyl)piperazine
CID 751070
3-[3,4-Dimethyl-1-(3-phenyl-propyl)-piperidin-4-yl]-phenol
CID 9840199
3-[3,4-Dimethyl-1-(3-phenyl-allyl)-piperidin-4-yl]-phenol
CID 9973387
3-((7R,8R,9alphaR)-2-benzyl-7,8-dimethyl-octahydro-1H-pyrido-[1,2-R]pyrazin-8-yl)phenol
CID 16094414

Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzylpiperazin-1-yl)methyl]phenol?
The IUPAC name of 3-[(4-benzylpiperazin-1-yl)methyl]phenol (CID 765964) is 3-[(4-benzylpiperazin-1-yl)methyl]phenol.
What is the SMILES notation for 3-[(4-benzylpiperazin-1-yl)methyl]phenol?
The canonical SMILES for 3-[(4-benzylpiperazin-1-yl)methyl]phenol is Oc1cccc(CN2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 3-[(4-benzylpiperazin-1-yl)methyl]phenol?
The InChIKey is WMAGEFBUJAVGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c21-18-8-4-7-17(13-18)15-20-11-9-19(10-12-20)14-16-5-2-1-3-6-16/h1-8,13,21H,9-12,14-15H2.
What are the key properties of 3-[(4-benzylpiperazin-1-yl)methyl]phenol?
3-[(4-benzylpiperazin-1-yl)methyl]phenol has a molecular weight of 282.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzylpiperazin-1-yl)methyl]phenol is sourced from PubChem (CID 765964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).