3-benzyl-1-cyclopropylpiperazine

C14H20N2 — CID 52992061

IUPAC3-benzyl-1-cyclopropylpiperazine
SMILESc1ccc(CC2CN(C3CC3)CCN2)cc1
InChIInChI=1S/C14H20N2/c1-2-4-12(5-3-1)10-13-11-16(9-8-15-13)14-6-7-14/h1-5,13-15H,6-11H2
InChIKeyBSRABLAVRKDCRM-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.67
Rot. Bonds3

About 3-benzyl-1-cyclopropylpiperazine

3-benzyl-1-cyclopropylpiperazine (PubChem CID 52992061) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-benzyl-1-cyclopropylpiperazine.

Molecular Properties

Compound Name3-benzyl-1-cyclopropylpiperazine
PubChem CID52992061
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-benzyl-1-cyclopropylpiperazine
SMILESc1ccc(CC2CN(C3CC3)CCN2)cc1
InChIInChI=1S/C14H20N2/c1-2-4-12(5-3-1)10-13-11-16(9-8-15-13)14-6-7-14/h1-5,13-15H,6-11H2
InChIKeyBSRABLAVRKDCRM-UHFFFAOYSA-N
XLogP1.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-benzyl-1-cyclopropylpiperazine 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

3-benzyl-1-cyclooctylpiperazine
CID 64924383
3-benzyl-1-(3,4-dimethylcyclohexyl)piperazine
CID 64952857
3-benzyl-1-(2-methylcyclopropyl)piperazine
CID 64952571
3-(3-benzyl-1,4-diazepan-1-yl)thiolane 1,1-dioxide
CID 64944072
3-benzyl-1-(3-methylcyclohexyl)-1,4-diazepane
CID 64943337
5,12-dibenzyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
CID 57147750
3-benzyl-1-(2-phenylethyl)piperazine
CID 64832904
3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane
CID 64949769
3-benzyl-1-(2-methylpropyl)piperazine
CID 64833907
1-[(3R)-3-benzylpiperazin-1-yl]ethanone
CID 94985339
3-benzyl-1-phenyl-1,4-diazepane
CID 64943308
3-benzyl-1-hexan-2-ylpiperazine
CID 64954753

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-cyclopropylpiperazine?
The IUPAC name of 3-benzyl-1-cyclopropylpiperazine (CID 52992061) is 3-benzyl-1-cyclopropylpiperazine.
What is the SMILES notation for 3-benzyl-1-cyclopropylpiperazine?
The canonical SMILES for 3-benzyl-1-cyclopropylpiperazine is c1ccc(CC2CN(C3CC3)CCN2)cc1.
What is the InChIKey of 3-benzyl-1-cyclopropylpiperazine?
The InChIKey is BSRABLAVRKDCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-4-12(5-3-1)10-13-11-16(9-8-15-13)14-6-7-14/h1-5,13-15H,6-11H2.
What are the key properties of 3-benzyl-1-cyclopropylpiperazine?
3-benzyl-1-cyclopropylpiperazine has a molecular weight of 216.33 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-cyclopropylpiperazine is sourced from PubChem (CID 52992061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).