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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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).