1-benzyl-4-(3-chloro-3-phenylpropyl)piperazine;hydrochloride

C20H26Cl2N2 — CID 23723096

IUPAC1-benzyl-4-(3-chloro-3-phenylpropyl)piperazine;hydrochloride
SMILESCl.ClC(CCN1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H25ClN2.ClH/c21-20(19-9-5-2-6-10-19)11-12-22-13-15-23(16-14-22)17-18-7-3-1-4-8-18;/h1-10,20H,11-17H2;1H
InChIKeyJTZXLFKYDFGODK-UHFFFAOYSA-N
MW365.35 g/mol
LogP4.60
Rot. Bonds6

About 1-benzyl-4-(3-chloro-3-phenylpropyl)piperazine;hydrochloride

1-benzyl-4-(3-chloro-3-phenylpropyl)piperazine;hydrochloride (PubChem CID 23723096) has the molecular formula C20H26Cl2N2 and a molecular weight of 365.35 g/mol. Its IUPAC name is 1-benzyl-4-(3-chloro-3-phenylpropyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-4-(3-chloro-3-phenylpropyl)piperazine;hydrochloride
PubChem CID23723096
Molecular FormulaC20H26Cl2N2
Molecular Weight365.35 g/mol
Exact Mass364.15
IUPAC Name1-benzyl-4-(3-chloro-3-phenylpropyl)piperazine;hydrochloride
SMILESCl.ClC(CCN1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H25ClN2.ClH/c21-20(19-9-5-2-6-10-19)11-12-22-13-15-23(16-14-22)17-18-7-3-1-4-8-18;/h1-10,20H,11-17H2;1H
InChIKeyJTZXLFKYDFGODK-UHFFFAOYSA-N
XLogP4.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride
CID 67656037
1-benzyl-4-[(3S)-3-phenylbutyl]piperazine
CID 1376475
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
(2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine
CID 93338021
3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-amine
CID 113229549
1-benzyl-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine
CID 86201400
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-benzyl-4-[3-(4-chlorophenyl)-3-phenylpropyl]piperazine;bis((Z)-but-2-enedioic acid)
CID 6436573
1-benzyl-4-[2-[(2S)-pentan-2-yl]oxyethyl]piperazine
CID 139379312
1-benzyl-4-[3-(2-methoxyphenoxy)-3-phenylpropyl]piperazine;hydron;dichloride
CID 50987098
1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine
CID 71276997

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-chloro-3-phenylpropyl)piperazine;hydrochloride?
The IUPAC name of 1-benzyl-4-(3-chloro-3-phenylpropyl)piperazine;hydrochloride (CID 23723096) is 1-benzyl-4-(3-chloro-3-phenylpropyl)piperazine;hydrochloride.
What is the SMILES notation for 1-benzyl-4-(3-chloro-3-phenylpropyl)piperazine;hydrochloride?
The canonical SMILES for 1-benzyl-4-(3-chloro-3-phenylpropyl)piperazine;hydrochloride is Cl.ClC(CCN1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-benzyl-4-(3-chloro-3-phenylpropyl)piperazine;hydrochloride?
The InChIKey is JTZXLFKYDFGODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2.ClH/c21-20(19-9-5-2-6-10-19)11-12-22-13-15-23(16-14-22)17-18-7-3-1-4-8-18;/h1-10,20H,11-17H2;1H.
What are the key properties of 1-benzyl-4-(3-chloro-3-phenylpropyl)piperazine;hydrochloride?
1-benzyl-4-(3-chloro-3-phenylpropyl)piperazine;hydrochloride has a molecular weight of 365.35 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-chloro-3-phenylpropyl)piperazine;hydrochloride is sourced from PubChem (CID 23723096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).