2-benzyl-1-butyl-5-cyclopropylpiperazine

C18H28N2 — CID 64860330

IUPAC2-benzyl-1-butyl-5-cyclopropylpiperazine
SMILESCCCCN1CC(C2CC2)NCC1Cc1ccccc1
InChIInChI=1S/C18H28N2/c1-2-3-11-20-14-18(16-9-10-16)19-13-17(20)12-15-7-5-4-6-8-15/h4-8,16-19H,2-3,9-14H2,1H3
InChIKeyUAYWRQLKLSOILO-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.08
Rot. Bonds6

About 2-benzyl-1-butyl-5-cyclopropylpiperazine

2-benzyl-1-butyl-5-cyclopropylpiperazine (PubChem CID 64860330) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-benzyl-1-butyl-5-cyclopropylpiperazine.

Molecular Properties

Compound Name2-benzyl-1-butyl-5-cyclopropylpiperazine
PubChem CID64860330
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-benzyl-1-butyl-5-cyclopropylpiperazine
SMILESCCCCN1CC(C2CC2)NCC1Cc1ccccc1
InChIInChI=1S/C18H28N2/c1-2-3-11-20-14-18(16-9-10-16)19-13-17(20)12-15-7-5-4-6-8-15/h4-8,16-19H,2-3,9-14H2,1H3
InChIKeyUAYWRQLKLSOILO-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

2-benzyl-5-ethyl-1-pentylpiperazine
CID 64843710
2-benzyl-1-[(Z)-3-chloro-2-methylprop-2-enyl]-5-cyclopropylpiperazine
CID 106440539
2-benzyl-1-butan-2-yl-5-cyclopropylpiperazine
CID 79446756
2-benzyl-1-octylaziridine
CID 102467094
2-benzyl-5-ethyl-1-(3-methoxypropyl)piperazine
CID 64842547
5-cyclopropyl-2-phenyl-1-propylpiperazine
CID 64860711
2-benzyl-5-ethyl-1-(2-fluoroethyl)piperazine
CID 80696999
1-butyl-2-tert-butyl-5-cyclopropylpiperazine
CID 64861474
2,5-dicyclopropyl-1-pentylpiperazine
CID 64859934
1-butyl-2-cyclohexyl-5-cyclopropylpiperazine
CID 64861672
5-cyclopropyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine
CID 113488302
5-cyclopropyl-2-ethyl-1-(5-methylhexyl)piperazine
CID 115327094

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-butyl-5-cyclopropylpiperazine?
The IUPAC name of 2-benzyl-1-butyl-5-cyclopropylpiperazine (CID 64860330) is 2-benzyl-1-butyl-5-cyclopropylpiperazine.
What is the SMILES notation for 2-benzyl-1-butyl-5-cyclopropylpiperazine?
The canonical SMILES for 2-benzyl-1-butyl-5-cyclopropylpiperazine is CCCCN1CC(C2CC2)NCC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-butyl-5-cyclopropylpiperazine?
The InChIKey is UAYWRQLKLSOILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-3-11-20-14-18(16-9-10-16)19-13-17(20)12-15-7-5-4-6-8-15/h4-8,16-19H,2-3,9-14H2,1H3.
What are the key properties of 2-benzyl-1-butyl-5-cyclopropylpiperazine?
2-benzyl-1-butyl-5-cyclopropylpiperazine has a molecular weight of 272.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-butyl-5-cyclopropylpiperazine is sourced from PubChem (CID 64860330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).