(2R)-2-butyl-1-[(1-phenylcyclopropyl)methyl]piperazine

C18H28N2 — CID 23641140

IUPAC(2R)-2-butyl-1-[(1-phenylcyclopropyl)methyl]piperazine
SMILESCCCC[C@@H]1CNCCN1CC1(c2ccccc2)CC1
InChIInChI=1S/C18H28N2/c1-2-3-9-17-14-19-12-13-20(17)15-18(10-11-18)16-7-5-4-6-8-16/h4-8,17,19H,2-3,9-15H2,1H3/t17-/m1/s1
InChIKeyAQIAZKJJJKJHQM-QGZVFWFLSA-N
MW272.44 g/mol
LogP3.18
Rot. Bonds6

About (2R)-2-butyl-1-[(1-phenylcyclopropyl)methyl]piperazine

(2R)-2-butyl-1-[(1-phenylcyclopropyl)methyl]piperazine (PubChem CID 23641140) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is (2R)-2-butyl-1-[(1-phenylcyclopropyl)methyl]piperazine.

Molecular Properties

Compound Name(2R)-2-butyl-1-[(1-phenylcyclopropyl)methyl]piperazine
PubChem CID23641140
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name(2R)-2-butyl-1-[(1-phenylcyclopropyl)methyl]piperazine
SMILESCCCC[C@@H]1CNCCN1CC1(c2ccccc2)CC1
InChIInChI=1S/C18H28N2/c1-2-3-9-17-14-19-12-13-20(17)15-18(10-11-18)16-7-5-4-6-8-16/h4-8,17,19H,2-3,9-15H2,1H3/t17-/m1/s1
InChIKeyAQIAZKJJJKJHQM-QGZVFWFLSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-butyl-1-[(1-phenylcyclopropyl)methyl]piperazine?
The IUPAC name of (2R)-2-butyl-1-[(1-phenylcyclopropyl)methyl]piperazine (CID 23641140) is (2R)-2-butyl-1-[(1-phenylcyclopropyl)methyl]piperazine.
What is the SMILES notation for (2R)-2-butyl-1-[(1-phenylcyclopropyl)methyl]piperazine?
The canonical SMILES for (2R)-2-butyl-1-[(1-phenylcyclopropyl)methyl]piperazine is CCCC[C@@H]1CNCCN1CC1(c2ccccc2)CC1.
What is the InChIKey of (2R)-2-butyl-1-[(1-phenylcyclopropyl)methyl]piperazine?
The InChIKey is AQIAZKJJJKJHQM-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-3-9-17-14-19-12-13-20(17)15-18(10-11-18)16-7-5-4-6-8-16/h4-8,17,19H,2-3,9-15H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-2-butyl-1-[(1-phenylcyclopropyl)methyl]piperazine?
(2R)-2-butyl-1-[(1-phenylcyclopropyl)methyl]piperazine has a molecular weight of 272.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-butyl-1-[(1-phenylcyclopropyl)methyl]piperazine is sourced from PubChem (CID 23641140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).