5-cyclopropyl-1-(3-methylbutan-2-yl)-2-phenylpiperazine

C18H28N2 — CID 64934608

IUPAC5-cyclopropyl-1-(3-methylbutan-2-yl)-2-phenylpiperazine
SMILESCC(C)C(C)N1CC(C2CC2)NCC1c1ccccc1
InChIInChI=1S/C18H28N2/c1-13(2)14(3)20-12-17(15-9-10-15)19-11-18(20)16-7-5-4-6-8-16/h4-8,13-15,17-19H,9-12H2,1-3H3
InChIKeyXCQDZANNMCFWHM-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.46
Rot. Bonds4

About 5-cyclopropyl-1-(3-methylbutan-2-yl)-2-phenylpiperazine

5-cyclopropyl-1-(3-methylbutan-2-yl)-2-phenylpiperazine (PubChem CID 64934608) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 5-cyclopropyl-1-(3-methylbutan-2-yl)-2-phenylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-(3-methylbutan-2-yl)-2-phenylpiperazine
PubChem CID64934608
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name5-cyclopropyl-1-(3-methylbutan-2-yl)-2-phenylpiperazine
SMILESCC(C)C(C)N1CC(C2CC2)NCC1c1ccccc1
InChIInChI=1S/C18H28N2/c1-13(2)14(3)20-12-17(15-9-10-15)19-11-18(20)16-7-5-4-6-8-16/h4-8,13-15,17-19H,9-12H2,1-3H3
InChIKeyXCQDZANNMCFWHM-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(3-methylbutan-2-yl)-2-phenylpiperazine?
The IUPAC name of 5-cyclopropyl-1-(3-methylbutan-2-yl)-2-phenylpiperazine (CID 64934608) is 5-cyclopropyl-1-(3-methylbutan-2-yl)-2-phenylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-(3-methylbutan-2-yl)-2-phenylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-(3-methylbutan-2-yl)-2-phenylpiperazine is CC(C)C(C)N1CC(C2CC2)NCC1c1ccccc1.
What is the InChIKey of 5-cyclopropyl-1-(3-methylbutan-2-yl)-2-phenylpiperazine?
The InChIKey is XCQDZANNMCFWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-13(2)14(3)20-12-17(15-9-10-15)19-11-18(20)16-7-5-4-6-8-16/h4-8,13-15,17-19H,9-12H2,1-3H3.
What are the key properties of 5-cyclopropyl-1-(3-methylbutan-2-yl)-2-phenylpiperazine?
5-cyclopropyl-1-(3-methylbutan-2-yl)-2-phenylpiperazine has a molecular weight of 272.44 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(3-methylbutan-2-yl)-2-phenylpiperazine is sourced from PubChem (CID 64934608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).