1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride

C19H25ClN2O — CID 53329616

IUPAC1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
SMILESCl.c1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H24N2O.ClH/c1-3-8-18(9-4-1)21-15-13-20(14-16-21)12-7-17-22-19-10-5-2-6-11-19;/h1-6,8-11H,7,12-17H2;1H
InChIKeyFVFGYYRBGYBZDV-UHFFFAOYSA-N
MW332.88 g/mol
LogP3.70
Rot. Bonds6

About 1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride

1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride (PubChem CID 53329616) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is 1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
PubChem CID53329616
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC Name1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
SMILESCl.c1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H24N2O.ClH/c1-3-8-18(9-4-1)21-15-13-20(14-16-21)12-7-17-22-19-10-5-2-6-11-19;/h1-6,8-11H,7,12-17H2;1H
InChIKeyFVFGYYRBGYBZDV-UHFFFAOYSA-N
XLogP3.70
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride 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

1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
CID 3050368
1,4-bis(7-phenoxyheptyl)piperazine;dihydrochloride
CID 155568603
1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine
CID 94036722
4-[2-(4-phenylpiperazin-1-yl)ethoxy]aniline
CID 15573951
1-ethyl-4-(3-phenoxypropyl)piperazine
CID 51072960
1-[3-(4-benzylphenoxy)propyl]-4-pyridin-4-ylpiperazine
CID 162666847
N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 3070138
1-(3-phenoxypropyl)piperazine
CID 2760351
1-[5-(2,3-dihydro-1H-inden-5-yloxy)pentyl]-4-phenylpiperazine;hydrochloride
CID 45260941
1-(2-bromoethyl)-4-(3-phenoxypropyl)-1,4-diazepane
CID 80668169
N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine
CID 19018032
3-(4-phenylpiperazin-1-yl)propyl sulfite
CID 174503214

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride?
The IUPAC name of 1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride (CID 53329616) is 1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride.
What is the SMILES notation for 1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride?
The canonical SMILES for 1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride is Cl.c1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride?
The InChIKey is FVFGYYRBGYBZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O.ClH/c1-3-8-18(9-4-1)21-15-13-20(14-16-21)12-7-17-22-19-10-5-2-6-11-19;/h1-6,8-11H,7,12-17H2;1H.
What are the key properties of 1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride?
1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride is sourced from PubChem (CID 53329616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).