3-methyl-1-(4-methylpentyl)-3-phenylpiperazine

C17H28N2 — CID 64952596

IUPAC3-methyl-1-(4-methylpentyl)-3-phenylpiperazine
SMILESCC(C)CCCN1CCNC(C)(c2ccccc2)C1
InChIInChI=1S/C17H28N2/c1-15(2)8-7-12-19-13-11-18-17(3,14-19)16-9-5-4-6-10-16/h4-6,9-10,15,18H,7-8,11-14H2,1-3H3
InChIKeyUOOXGCLFYMEHFK-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.24
Rot. Bonds5

About 3-methyl-1-(4-methylpentyl)-3-phenylpiperazine

3-methyl-1-(4-methylpentyl)-3-phenylpiperazine (PubChem CID 64952596) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 3-methyl-1-(4-methylpentyl)-3-phenylpiperazine.

Molecular Properties

Compound Name3-methyl-1-(4-methylpentyl)-3-phenylpiperazine
PubChem CID64952596
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name3-methyl-1-(4-methylpentyl)-3-phenylpiperazine
SMILESCC(C)CCCN1CCNC(C)(c2ccccc2)C1
InChIInChI=1S/C17H28N2/c1-15(2)8-7-12-19-13-11-18-17(3,14-19)16-9-5-4-6-10-16/h4-6,9-10,15,18H,7-8,11-14H2,1-3H3
InChIKeyUOOXGCLFYMEHFK-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-heptyl-3-methyl-3-phenylpiperazine
CID 64831697
3-methyl-1-(2-methylsulfanylethyl)-3-phenylpiperazine
CID 64954623
2,2,5-trimethyl-1-(4-methylpentyl)-5-phenylpiperazine
CID 83149537
3-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperazine
CID 64831695
1-(2,2-dimethylpropyl)-3-methyl-3-phenylpiperazine
CID 64925313
1-(2-cyclohexylethyl)-3-methyl-3-phenylpiperazine
CID 64925110
3-methyl-3-phenyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane
CID 64870129
3-methyl-3-phenyl-1-(2-pyridin-2-ylethyl)piperazine
CID 64923711
3-methyl-1-(4-methylpentan-2-yl)-3-phenylpiperazine
CID 64926626
3,3-diethyl-1-(4-methylpentyl)piperazine
CID 64953195
1-(2-ethoxyethyl)-3-methyl-3-phenyl-1,4-diazepane
CID 64870128
1-[(4-bromophenyl)methyl]-3-methyl-3-phenylpiperazine
CID 64832086

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylpentyl)-3-phenylpiperazine?
The IUPAC name of 3-methyl-1-(4-methylpentyl)-3-phenylpiperazine (CID 64952596) is 3-methyl-1-(4-methylpentyl)-3-phenylpiperazine.
What is the SMILES notation for 3-methyl-1-(4-methylpentyl)-3-phenylpiperazine?
The canonical SMILES for 3-methyl-1-(4-methylpentyl)-3-phenylpiperazine is CC(C)CCCN1CCNC(C)(c2ccccc2)C1.
What is the InChIKey of 3-methyl-1-(4-methylpentyl)-3-phenylpiperazine?
The InChIKey is UOOXGCLFYMEHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-15(2)8-7-12-19-13-11-18-17(3,14-19)16-9-5-4-6-10-16/h4-6,9-10,15,18H,7-8,11-14H2,1-3H3.
What are the key properties of 3-methyl-1-(4-methylpentyl)-3-phenylpiperazine?
3-methyl-1-(4-methylpentyl)-3-phenylpiperazine has a molecular weight of 260.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylpentyl)-3-phenylpiperazine is sourced from PubChem (CID 64952596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).