1-heptyl-5-methyl-2-phenylpiperazine

C18H30N2 — CID 64846339

IUPAC1-heptyl-5-methyl-2-phenylpiperazine
SMILESCCCCCCCN1CC(C)NCC1c1ccccc1
InChIInChI=1S/C18H30N2/c1-3-4-5-6-10-13-20-15-16(2)19-14-18(20)17-11-8-7-9-12-17/h7-9,11-12,16,18-19H,3-6,10,13-15H2,1-2H3
InChIKeyJNAJWDNEHCJALF-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.99
Rot. Bonds7

About 1-heptyl-5-methyl-2-phenylpiperazine

1-heptyl-5-methyl-2-phenylpiperazine (PubChem CID 64846339) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-heptyl-5-methyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-heptyl-5-methyl-2-phenylpiperazine
PubChem CID64846339
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-heptyl-5-methyl-2-phenylpiperazine
SMILESCCCCCCCN1CC(C)NCC1c1ccccc1
InChIInChI=1S/C18H30N2/c1-3-4-5-6-10-13-20-15-16(2)19-14-18(20)17-11-8-7-9-12-17/h7-9,11-12,16,18-19H,3-6,10,13-15H2,1-2H3
InChIKeyJNAJWDNEHCJALF-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-heptyl-5-methyl-2-phenylpiperazine?
The IUPAC name of 1-heptyl-5-methyl-2-phenylpiperazine (CID 64846339) is 1-heptyl-5-methyl-2-phenylpiperazine.
What is the SMILES notation for 1-heptyl-5-methyl-2-phenylpiperazine?
The canonical SMILES for 1-heptyl-5-methyl-2-phenylpiperazine is CCCCCCCN1CC(C)NCC1c1ccccc1.
What is the InChIKey of 1-heptyl-5-methyl-2-phenylpiperazine?
The InChIKey is JNAJWDNEHCJALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-4-5-6-10-13-20-15-16(2)19-14-18(20)17-11-8-7-9-12-17/h7-9,11-12,16,18-19H,3-6,10,13-15H2,1-2H3.
What are the key properties of 1-heptyl-5-methyl-2-phenylpiperazine?
1-heptyl-5-methyl-2-phenylpiperazine has a molecular weight of 274.45 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-5-methyl-2-phenylpiperazine is sourced from PubChem (CID 64846339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).