3-benzyl-1-octylpiperazine

C19H32N2 — CID 64833102

IUPAC3-benzyl-1-octylpiperazine
SMILESCCCCCCCCN1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C19H32N2/c1-2-3-4-5-6-10-14-21-15-13-20-19(17-21)16-18-11-8-7-9-12-18/h7-9,11-12,19-20H,2-6,10,13-17H2,1H3
InChIKeyWTVINKVMKXGDSR-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.86
Rot. Bonds9

About 3-benzyl-1-octylpiperazine

3-benzyl-1-octylpiperazine (PubChem CID 64833102) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 3-benzyl-1-octylpiperazine.

Molecular Properties

Compound Name3-benzyl-1-octylpiperazine
PubChem CID64833102
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name3-benzyl-1-octylpiperazine
SMILESCCCCCCCCN1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C19H32N2/c1-2-3-4-5-6-10-14-21-15-13-20-19(17-21)16-18-11-8-7-9-12-18/h7-9,11-12,19-20H,2-6,10,13-17H2,1H3
InChIKeyWTVINKVMKXGDSR-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-benzyl-1-octylpiperazine 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-(2-phenylethyl)piperazine
CID 64832904
3-benzyl-1-(2-propoxyethyl)-1,4-diazepane
CID 106458848
3-benzyl-1-(2-methylpropyl)piperazine
CID 64833907
3-benzyl-1-octylpyrrolidine
CID 58576677
3-ethyl-1-pentylpiperazine
CID 64832988
1-benzyl-3-butylpiperazine
CID 19353079
3-benzyl-1-hexan-2-ylpiperazine
CID 64954753
3-benzyl-1-[(E)-but-2-enyl]piperazine
CID 107897866
3-benzyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazepane
CID 64858408
2-benzyl-4-dodecylmorpholine
CID 70634633
3-benzyl-1-[(2-methylphenyl)methyl]piperazine
CID 64834107
3-benzyl-1-(4,4,4-trifluorobutyl)-1,4-diazepane
CID 115519152

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-octylpiperazine?
The IUPAC name of 3-benzyl-1-octylpiperazine (CID 64833102) is 3-benzyl-1-octylpiperazine.
What is the SMILES notation for 3-benzyl-1-octylpiperazine?
The canonical SMILES for 3-benzyl-1-octylpiperazine is CCCCCCCCN1CCNC(Cc2ccccc2)C1.
What is the InChIKey of 3-benzyl-1-octylpiperazine?
The InChIKey is WTVINKVMKXGDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-2-3-4-5-6-10-14-21-15-13-20-19(17-21)16-18-11-8-7-9-12-18/h7-9,11-12,19-20H,2-6,10,13-17H2,1H3.
What are the key properties of 3-benzyl-1-octylpiperazine?
3-benzyl-1-octylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-octylpiperazine is sourced from PubChem (CID 64833102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).