1-butan-2-yl-4-cyclohexylpiperazine

C14H28N2 — CID 3150618

IUPAC1-butan-2-yl-4-cyclohexylpiperazine
SMILESCCC(C)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C14H28N2/c1-3-13(2)15-9-11-16(12-10-15)14-7-5-4-6-8-14/h13-14H,3-12H2,1-2H3
InChIKeyWNFAXYCQJBSZMK-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.74
Rot. Bonds3

About 1-butan-2-yl-4-cyclohexylpiperazine

1-butan-2-yl-4-cyclohexylpiperazine (PubChem CID 3150618) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-butan-2-yl-4-cyclohexylpiperazine.

Molecular Properties

Compound Name1-butan-2-yl-4-cyclohexylpiperazine
PubChem CID3150618
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-butan-2-yl-4-cyclohexylpiperazine
SMILESCCC(C)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C14H28N2/c1-3-13(2)15-9-11-16(12-10-15)14-7-5-4-6-8-14/h13-14H,3-12H2,1-2H3
InChIKeyWNFAXYCQJBSZMK-UHFFFAOYSA-N
XLogP2.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-butan-2-yl-4-cyclohexylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-cyclohexylpiperazine?
The IUPAC name of 1-butan-2-yl-4-cyclohexylpiperazine (CID 3150618) is 1-butan-2-yl-4-cyclohexylpiperazine.
What is the SMILES notation for 1-butan-2-yl-4-cyclohexylpiperazine?
The canonical SMILES for 1-butan-2-yl-4-cyclohexylpiperazine is CCC(C)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-butan-2-yl-4-cyclohexylpiperazine?
The InChIKey is WNFAXYCQJBSZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-3-13(2)15-9-11-16(12-10-15)14-7-5-4-6-8-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-cyclohexylpiperazine?
1-butan-2-yl-4-cyclohexylpiperazine has a molecular weight of 224.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-cyclohexylpiperazine is sourced from PubChem (CID 3150618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).