(2R)-1-(4-cyclohexylbutyl)-2-methyl-4-propan-2-ylpiperazine;propan-2-ol

C21H44N2O — CID 170569308

IUPAC(2R)-1-(4-cyclohexylbutyl)-2-methyl-4-propan-2-ylpiperazine;propan-2-ol
SMILESCC(C)N1CCN(CCCCC2CCCCC2)[C@H](C)C1.CC(C)O
InChIInChI=1S/C18H36N2.C3H8O/c1-16(2)20-14-13-19(17(3)15-20)12-8-7-11-18-9-5-4-6-10-18;1-3(2)4/h16-18H,4-15H2,1-3H3;3-4H,1-2H3/t17-;/m1./s1
InChIKeyKXVJHFRDGYHZTH-UNTBIKODSA-N
MW340.60 g/mol
LogP4.54
Rot. Bonds6

About (2R)-1-(4-cyclohexylbutyl)-2-methyl-4-propan-2-ylpiperazine;propan-2-ol

(2R)-1-(4-cyclohexylbutyl)-2-methyl-4-propan-2-ylpiperazine;propan-2-ol (PubChem CID 170569308) has the molecular formula C21H44N2O and a molecular weight of 340.60 g/mol. Its IUPAC name is (2R)-1-(4-cyclohexylbutyl)-2-methyl-4-propan-2-ylpiperazine;propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-cyclohexylbutyl)-2-methyl-4-propan-2-ylpiperazine;propan-2-ol
PubChem CID170569308
Molecular FormulaC21H44N2O
Molecular Weight340.60 g/mol
Exact Mass340.35
IUPAC Name(2R)-1-(4-cyclohexylbutyl)-2-methyl-4-propan-2-ylpiperazine;propan-2-ol
SMILESCC(C)N1CCN(CCCCC2CCCCC2)[C@H](C)C1.CC(C)O
InChIInChI=1S/C18H36N2.C3H8O/c1-16(2)20-14-13-19(17(3)15-20)12-8-7-11-18-9-5-4-6-10-18;1-3(2)4/h16-18H,4-15H2,1-3H3;3-4H,1-2H3/t17-;/m1./s1
InChIKeyKXVJHFRDGYHZTH-UNTBIKODSA-N
XLogP4.54
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-1-(4-cyclohexylbutyl)-2-methyl-4-propan-2-ylpiperazine;propan-2-ol 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 (2R)-1-(4-cyclohexylbutyl)-2-methyl-4-propan-2-ylpiperazine;propan-2-ol?
The IUPAC name of (2R)-1-(4-cyclohexylbutyl)-2-methyl-4-propan-2-ylpiperazine;propan-2-ol (CID 170569308) is (2R)-1-(4-cyclohexylbutyl)-2-methyl-4-propan-2-ylpiperazine;propan-2-ol.
What is the SMILES notation for (2R)-1-(4-cyclohexylbutyl)-2-methyl-4-propan-2-ylpiperazine;propan-2-ol?
The canonical SMILES for (2R)-1-(4-cyclohexylbutyl)-2-methyl-4-propan-2-ylpiperazine;propan-2-ol is CC(C)N1CCN(CCCCC2CCCCC2)[C@H](C)C1.CC(C)O.
What is the InChIKey of (2R)-1-(4-cyclohexylbutyl)-2-methyl-4-propan-2-ylpiperazine;propan-2-ol?
The InChIKey is KXVJHFRDGYHZTH-UNTBIKODSA-N. The full InChI is InChI=1S/C18H36N2.C3H8O/c1-16(2)20-14-13-19(17(3)15-20)12-8-7-11-18-9-5-4-6-10-18;1-3(2)4/h16-18H,4-15H2,1-3H3;3-4H,1-2H3/t17-;/m1./s1.
What are the key properties of (2R)-1-(4-cyclohexylbutyl)-2-methyl-4-propan-2-ylpiperazine;propan-2-ol?
(2R)-1-(4-cyclohexylbutyl)-2-methyl-4-propan-2-ylpiperazine;propan-2-ol has a molecular weight of 340.60 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-cyclohexylbutyl)-2-methyl-4-propan-2-ylpiperazine;propan-2-ol is sourced from PubChem (CID 170569308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).