2-benzyl-1-butan-2-yl-5-cyclopropylpiperazine

C18H28N2 — CID 79446756

IUPAC2-benzyl-1-butan-2-yl-5-cyclopropylpiperazine
SMILESCCC(C)N1CC(C2CC2)NCC1Cc1ccccc1
InChIInChI=1S/C18H28N2/c1-3-14(2)20-13-18(16-9-10-16)19-12-17(20)11-15-7-5-4-6-8-15/h4-8,14,16-19H,3,9-13H2,1-2H3
InChIKeyLCLHCRXFLRUBGF-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.08
Rot. Bonds5

About 2-benzyl-1-butan-2-yl-5-cyclopropylpiperazine

2-benzyl-1-butan-2-yl-5-cyclopropylpiperazine (PubChem CID 79446756) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-benzyl-1-butan-2-yl-5-cyclopropylpiperazine.

Molecular Properties

Compound Name2-benzyl-1-butan-2-yl-5-cyclopropylpiperazine
PubChem CID79446756
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-benzyl-1-butan-2-yl-5-cyclopropylpiperazine
SMILESCCC(C)N1CC(C2CC2)NCC1Cc1ccccc1
InChIInChI=1S/C18H28N2/c1-3-14(2)20-13-18(16-9-10-16)19-12-17(20)11-15-7-5-4-6-8-15/h4-8,14,16-19H,3,9-13H2,1-2H3
InChIKeyLCLHCRXFLRUBGF-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 2-benzyl-1-butan-2-yl-5-cyclopropylpiperazine?
The IUPAC name of 2-benzyl-1-butan-2-yl-5-cyclopropylpiperazine (CID 79446756) is 2-benzyl-1-butan-2-yl-5-cyclopropylpiperazine.
What is the SMILES notation for 2-benzyl-1-butan-2-yl-5-cyclopropylpiperazine?
The canonical SMILES for 2-benzyl-1-butan-2-yl-5-cyclopropylpiperazine is CCC(C)N1CC(C2CC2)NCC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-butan-2-yl-5-cyclopropylpiperazine?
The InChIKey is LCLHCRXFLRUBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-3-14(2)20-13-18(16-9-10-16)19-12-17(20)11-15-7-5-4-6-8-15/h4-8,14,16-19H,3,9-13H2,1-2H3.
What are the key properties of 2-benzyl-1-butan-2-yl-5-cyclopropylpiperazine?
2-benzyl-1-butan-2-yl-5-cyclopropylpiperazine 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 2-benzyl-1-butan-2-yl-5-cyclopropylpiperazine is sourced from PubChem (CID 79446756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).