1,4-Dibenzylpiperazine

C18H22N2 — CID 200601

IUPAC1,4-dibenzylpiperazine
SMILESC1CN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3
InChIInChI=1S/C18H22N2/c1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKeyYPUGLZQRXQQCSX-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.10
Rot. Bonds4

About 1,4-Dibenzylpiperazine

1,4-Dibenzylpiperazine (PubChem CID 200601) has the molecular formula C18H22N2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 1,4-dibenzylpiperazine.

Molecular Properties

Compound Name1,4-Dibenzylpiperazine
PubChem CID200601
Molecular FormulaC18H22N2
Molecular Weight266.40 g/mol
Exact Mass266.18
IUPAC Name1,4-dibenzylpiperazine
SMILESC1CN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3
InChIInChI=1S/C18H22N2/c1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKeyYPUGLZQRXQQCSX-UHFFFAOYSA-N
XLogP3.10
TPSA6.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity231

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cinnarizine
CID 1547484
Cyclizine
CID 6726
Phencyclidine
CID 6468
Flunarizine
CID 941361
Benzphetamine
CID 5311017
N-(2-Chloroethyl)dibenzylamine
CID 5820
Flunarizine Hydrochloride
CID 5282407
Phencyclidine Hydrochloride
CID 9795678
Fenpiprane
CID 197785
Cyclizine Hydrochloride
CID 6420019
Benzathine
CID 8793
Benzyl triethylammonium chloride
CID 66133

Frequently Asked Questions

What is the IUPAC name of 1,4-Dibenzylpiperazine?
The IUPAC name of 1,4-Dibenzylpiperazine (CID 200601) is 1,4-dibenzylpiperazine.
What is the SMILES notation for 1,4-Dibenzylpiperazine?
The canonical SMILES for 1,4-Dibenzylpiperazine is C1CN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3.
What is the InChIKey of 1,4-Dibenzylpiperazine?
The InChIKey is YPUGLZQRXQQCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18/h1-10H,11-16H2.
What are the key properties of 1,4-Dibenzylpiperazine?
1,4-Dibenzylpiperazine has a molecular weight of 266.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-Dibenzylpiperazine is sourced from PubChem (CID 200601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).