3-methyl-1-(3-methylpentan-2-yl)-3-phenylpiperazine

C17H28N2 — CID 64924140

IUPAC3-methyl-1-(3-methylpentan-2-yl)-3-phenylpiperazine
SMILESCCC(C)C(C)N1CCNC(C)(c2ccccc2)C1
InChIInChI=1S/C17H28N2/c1-5-14(2)15(3)19-12-11-18-17(4,13-19)16-9-7-6-8-10-16/h6-10,14-15,18H,5,11-13H2,1-4H3
InChIKeyZVLGDHHTJUERIE-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.24
Rot. Bonds4

About 3-methyl-1-(3-methylpentan-2-yl)-3-phenylpiperazine

3-methyl-1-(3-methylpentan-2-yl)-3-phenylpiperazine (PubChem CID 64924140) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 3-methyl-1-(3-methylpentan-2-yl)-3-phenylpiperazine.

Molecular Properties

Compound Name3-methyl-1-(3-methylpentan-2-yl)-3-phenylpiperazine
PubChem CID64924140
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name3-methyl-1-(3-methylpentan-2-yl)-3-phenylpiperazine
SMILESCCC(C)C(C)N1CCNC(C)(c2ccccc2)C1
InChIInChI=1S/C17H28N2/c1-5-14(2)15(3)19-12-11-18-17(4,13-19)16-9-7-6-8-10-16/h6-10,14-15,18H,5,11-13H2,1-4H3
InChIKeyZVLGDHHTJUERIE-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(2-methylpentan-3-yl)-3-phenylpiperazine
CID 64925120
3-methyl-1-(4-methylpentan-2-yl)-3-phenylpiperazine
CID 64926626
1-(1-cyclopropylbutan-2-yl)-3-methyl-3-phenylpiperazine
CID 64952228
3-methyl-3-phenyl-1-(1-phenylethyl)piperazine
CID 64926177
1-hexan-2-yl-3-methyl-3-phenyl-1,4-diazepane
CID 64950353
1-(1-methoxy-3-methylbutan-2-yl)-3-methyl-3-phenyl-1,4-diazepane
CID 65053659
1-(3-ethylpentan-3-yl)-3-methyl-3-phenylpiperazine
CID 65043590
1-(3,3-dimethylbutan-2-yl)-3-methyl-3-phenyl-1,4-diazepane
CID 104830168
4-methyl-2-[1-(3-methyl-3-phenylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64954045
3-methyl-1-(4-methylpentyl)-3-phenylpiperazine
CID 64952596
1-(2,2-dimethylpropyl)-3-methyl-3-phenylpiperazine
CID 64925313
1-heptyl-3-methyl-3-phenylpiperazine
CID 64831697

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylpentan-2-yl)-3-phenylpiperazine?
The IUPAC name of 3-methyl-1-(3-methylpentan-2-yl)-3-phenylpiperazine (CID 64924140) is 3-methyl-1-(3-methylpentan-2-yl)-3-phenylpiperazine.
What is the SMILES notation for 3-methyl-1-(3-methylpentan-2-yl)-3-phenylpiperazine?
The canonical SMILES for 3-methyl-1-(3-methylpentan-2-yl)-3-phenylpiperazine is CCC(C)C(C)N1CCNC(C)(c2ccccc2)C1.
What is the InChIKey of 3-methyl-1-(3-methylpentan-2-yl)-3-phenylpiperazine?
The InChIKey is ZVLGDHHTJUERIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-14(2)15(3)19-12-11-18-17(4,13-19)16-9-7-6-8-10-16/h6-10,14-15,18H,5,11-13H2,1-4H3.
What are the key properties of 3-methyl-1-(3-methylpentan-2-yl)-3-phenylpiperazine?
3-methyl-1-(3-methylpentan-2-yl)-3-phenylpiperazine has a molecular weight of 260.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylpentan-2-yl)-3-phenylpiperazine is sourced from PubChem (CID 64924140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).