1-heptyl-3-methyl-3-phenylpiperazine

C18H30N2 — CID 64831697

IUPAC1-heptyl-3-methyl-3-phenylpiperazine
SMILESCCCCCCCN1CCNC(C)(c2ccccc2)C1
InChIInChI=1S/C18H30N2/c1-3-4-5-6-10-14-20-15-13-19-18(2,16-20)17-11-8-7-9-12-17/h7-9,11-12,19H,3-6,10,13-16H2,1-2H3
InChIKeyPJWHAPNKEFFZHO-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.78
Rot. Bonds7

About 1-heptyl-3-methyl-3-phenylpiperazine

1-heptyl-3-methyl-3-phenylpiperazine (PubChem CID 64831697) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-heptyl-3-methyl-3-phenylpiperazine.

Molecular Properties

Compound Name1-heptyl-3-methyl-3-phenylpiperazine
PubChem CID64831697
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-heptyl-3-methyl-3-phenylpiperazine
SMILESCCCCCCCN1CCNC(C)(c2ccccc2)C1
InChIInChI=1S/C18H30N2/c1-3-4-5-6-10-14-20-15-13-19-18(2,16-20)17-11-8-7-9-12-17/h7-9,11-12,19H,3-6,10,13-16H2,1-2H3
InChIKeyPJWHAPNKEFFZHO-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-heptyl-3-methyl-3-phenylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-3-methyl-3-phenylpiperazine?
The IUPAC name of 1-heptyl-3-methyl-3-phenylpiperazine (CID 64831697) is 1-heptyl-3-methyl-3-phenylpiperazine.
What is the SMILES notation for 1-heptyl-3-methyl-3-phenylpiperazine?
The canonical SMILES for 1-heptyl-3-methyl-3-phenylpiperazine is CCCCCCCN1CCNC(C)(c2ccccc2)C1.
What is the InChIKey of 1-heptyl-3-methyl-3-phenylpiperazine?
The InChIKey is PJWHAPNKEFFZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-4-5-6-10-14-20-15-13-19-18(2,16-20)17-11-8-7-9-12-17/h7-9,11-12,19H,3-6,10,13-16H2,1-2H3.
What are the key properties of 1-heptyl-3-methyl-3-phenylpiperazine?
1-heptyl-3-methyl-3-phenylpiperazine has a molecular weight of 274.45 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-3-methyl-3-phenylpiperazine is sourced from PubChem (CID 64831697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).