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

C18H28N2 — CID 64952228

IUPAC1-(1-cyclopropylbutan-2-yl)-3-methyl-3-phenylpiperazine
SMILESCCC(CC1CC1)N1CCNC(C)(c2ccccc2)C1
InChIInChI=1S/C18H28N2/c1-3-17(13-15-9-10-15)20-12-11-19-18(2,14-20)16-7-5-4-6-8-16/h4-8,15,17,19H,3,9-14H2,1-2H3
InChIKeyUXZZYABOZOJOKF-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.39
Rot. Bonds5

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

1-(1-cyclopropylbutan-2-yl)-3-methyl-3-phenylpiperazine (PubChem CID 64952228) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-(1-cyclopropylbutan-2-yl)-3-methyl-3-phenylpiperazine.

Molecular Properties

Compound Name1-(1-cyclopropylbutan-2-yl)-3-methyl-3-phenylpiperazine
PubChem CID64952228
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-(1-cyclopropylbutan-2-yl)-3-methyl-3-phenylpiperazine
SMILESCCC(CC1CC1)N1CCNC(C)(c2ccccc2)C1
InChIInChI=1S/C18H28N2/c1-3-17(13-15-9-10-15)20-12-11-19-18(2,14-20)16-7-5-4-6-8-16/h4-8,15,17,19H,3,9-14H2,1-2H3
InChIKeyUXZZYABOZOJOKF-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(3-methylpentan-2-yl)-3-phenylpiperazine
CID 64924140
3-methyl-1-(2-methylpentan-3-yl)-3-phenylpiperazine
CID 64925120
1-(1-cyclopropylbutan-2-yl)-2,5-dimethyl-5-phenylpiperazine
CID 64941245
3-methyl-1-(4-methylpentan-2-yl)-3-phenylpiperazine
CID 64926626
3-methyl-3-phenyl-1-(1-phenylethyl)piperazine
CID 64926177
3-methyl-1-[(3-methylcyclopentyl)methyl]-3-phenylpiperazine
CID 107415536
9-(1-cyclopropylbutan-2-yl)-6,9-diazaspiro[4.5]decane
CID 64952028
1-[(1-ethylpyrrolidin-3-yl)methyl]-3-methyl-3-phenylpiperazine
CID 64925698
1-(1-cyclopropylpropan-2-yl)-2-ethyl-5-methyl-5-phenylpiperazine
CID 64941635
1-(3-ethylpentan-3-yl)-3-methyl-3-phenylpiperazine
CID 65043590
3-methyl-1-(oxan-4-ylmethyl)-3-phenylpiperazine
CID 64833278
1-(2-cyclohexylethyl)-3-methyl-3-phenylpiperazine
CID 64925110

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylbutan-2-yl)-3-methyl-3-phenylpiperazine?
The IUPAC name of 1-(1-cyclopropylbutan-2-yl)-3-methyl-3-phenylpiperazine (CID 64952228) is 1-(1-cyclopropylbutan-2-yl)-3-methyl-3-phenylpiperazine.
What is the SMILES notation for 1-(1-cyclopropylbutan-2-yl)-3-methyl-3-phenylpiperazine?
The canonical SMILES for 1-(1-cyclopropylbutan-2-yl)-3-methyl-3-phenylpiperazine is CCC(CC1CC1)N1CCNC(C)(c2ccccc2)C1.
What is the InChIKey of 1-(1-cyclopropylbutan-2-yl)-3-methyl-3-phenylpiperazine?
The InChIKey is UXZZYABOZOJOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-3-17(13-15-9-10-15)20-12-11-19-18(2,14-20)16-7-5-4-6-8-16/h4-8,15,17,19H,3,9-14H2,1-2H3.
What are the key properties of 1-(1-cyclopropylbutan-2-yl)-3-methyl-3-phenylpiperazine?
1-(1-cyclopropylbutan-2-yl)-3-methyl-3-phenylpiperazine has a molecular weight of 272.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylbutan-2-yl)-3-methyl-3-phenylpiperazine is sourced from PubChem (CID 64952228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).