3-cyclopropyl-3-methyl-1-(4-phenylbutan-2-yl)piperazine

C18H28N2 — CID 64952529

IUPAC3-cyclopropyl-3-methyl-1-(4-phenylbutan-2-yl)piperazine
SMILESCC(CCc1ccccc1)N1CCNC(C)(C2CC2)C1
InChIInChI=1S/C18H28N2/c1-15(8-9-16-6-4-3-5-7-16)20-13-12-19-18(2,14-20)17-10-11-17/h3-7,15,17,19H,8-14H2,1-2H3
InChIKeyUBTUPXHCWYGVFH-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.08
Rot. Bonds5

About 3-cyclopropyl-3-methyl-1-(4-phenylbutan-2-yl)piperazine

3-cyclopropyl-3-methyl-1-(4-phenylbutan-2-yl)piperazine (PubChem CID 64952529) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-1-(4-phenylbutan-2-yl)piperazine.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-1-(4-phenylbutan-2-yl)piperazine
PubChem CID64952529
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name3-cyclopropyl-3-methyl-1-(4-phenylbutan-2-yl)piperazine
SMILESCC(CCc1ccccc1)N1CCNC(C)(C2CC2)C1
InChIInChI=1S/C18H28N2/c1-15(8-9-16-6-4-3-5-7-16)20-13-12-19-18(2,14-20)17-10-11-17/h3-7,15,17,19H,8-14H2,1-2H3
InChIKeyUBTUPXHCWYGVFH-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-methyl-1-[1-(2-methylphenyl)ethyl]piperazine
CID 64926146
1-[1-(4-bromophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine
CID 64926142
1-[1-(4-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine
CID 64926135
1-[1-(4-phenylbutan-2-yl)azetidin-3-yl]piperazine
CID 66202032
3-cyclopropyl-3-methyl-1-(4-methylsulfinylbutan-2-yl)-1,4-diazepane
CID 113493749
1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine
CID 64926315
3-cyclopropyl-3-methyl-1-(2-methylphenyl)piperazine
CID 64926213
3-cyclopropyl-3-methyl-1-propan-2-yl-1,4-diazepane
CID 64871487
1-(1-cyclopentylethyl)-3-cyclopropyl-3-methylpiperazine
CID 64953435
(3aR,6aS)-5-(4-phenylbutan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042255
3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-3-methyl-1,4-diazepane
CID 64951209
3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine
CID 114138502

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-1-(4-phenylbutan-2-yl)piperazine?
The IUPAC name of 3-cyclopropyl-3-methyl-1-(4-phenylbutan-2-yl)piperazine (CID 64952529) is 3-cyclopropyl-3-methyl-1-(4-phenylbutan-2-yl)piperazine.
What is the SMILES notation for 3-cyclopropyl-3-methyl-1-(4-phenylbutan-2-yl)piperazine?
The canonical SMILES for 3-cyclopropyl-3-methyl-1-(4-phenylbutan-2-yl)piperazine is CC(CCc1ccccc1)N1CCNC(C)(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-3-methyl-1-(4-phenylbutan-2-yl)piperazine?
The InChIKey is UBTUPXHCWYGVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15(8-9-16-6-4-3-5-7-16)20-13-12-19-18(2,14-20)17-10-11-17/h3-7,15,17,19H,8-14H2,1-2H3.
What are the key properties of 3-cyclopropyl-3-methyl-1-(4-phenylbutan-2-yl)piperazine?
3-cyclopropyl-3-methyl-1-(4-phenylbutan-2-yl)piperazine has a molecular weight of 272.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-1-(4-phenylbutan-2-yl)piperazine is sourced from PubChem (CID 64952529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).