(2R)-1-[4-(4-methoxycyclohexyl)butyl]-2-methyl-4-propan-2-ylpiperazine

C19H38N2O — CID 175636165

IUPAC(2R)-1-[4-(4-methoxycyclohexyl)butyl]-2-methyl-4-propan-2-ylpiperazine
SMILESCOC1CCC(CCCCN2CCN(C(C)C)C[C@H]2C)CC1
InChIInChI=1S/C19H38N2O/c1-16(2)21-14-13-20(17(3)15-21)12-6-5-7-18-8-10-19(22-4)11-9-18/h16-19H,5-15H2,1-4H3/t17-,18?,19?/m1/s1
InChIKeyZPUCGLUKVKXSOZ-LMDPOFIKSA-N
MW310.53 g/mol
LogP3.78
Rot. Bonds7

About (2R)-1-[4-(4-methoxycyclohexyl)butyl]-2-methyl-4-propan-2-ylpiperazine

(2R)-1-[4-(4-methoxycyclohexyl)butyl]-2-methyl-4-propan-2-ylpiperazine (PubChem CID 175636165) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is (2R)-1-[4-(4-methoxycyclohexyl)butyl]-2-methyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name(2R)-1-[4-(4-methoxycyclohexyl)butyl]-2-methyl-4-propan-2-ylpiperazine
PubChem CID175636165
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC Name(2R)-1-[4-(4-methoxycyclohexyl)butyl]-2-methyl-4-propan-2-ylpiperazine
SMILESCOC1CCC(CCCCN2CCN(C(C)C)C[C@H]2C)CC1
InChIInChI=1S/C19H38N2O/c1-16(2)21-14-13-20(17(3)15-21)12-6-5-7-18-8-10-19(22-4)11-9-18/h16-19H,5-15H2,1-4H3/t17-,18?,19?/m1/s1
InChIKeyZPUCGLUKVKXSOZ-LMDPOFIKSA-N
XLogP3.78
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(4-methoxycyclohexyl)butyl]-2-methyl-4-propan-2-ylpiperazine?
The IUPAC name of (2R)-1-[4-(4-methoxycyclohexyl)butyl]-2-methyl-4-propan-2-ylpiperazine (CID 175636165) is (2R)-1-[4-(4-methoxycyclohexyl)butyl]-2-methyl-4-propan-2-ylpiperazine.
What is the SMILES notation for (2R)-1-[4-(4-methoxycyclohexyl)butyl]-2-methyl-4-propan-2-ylpiperazine?
The canonical SMILES for (2R)-1-[4-(4-methoxycyclohexyl)butyl]-2-methyl-4-propan-2-ylpiperazine is COC1CCC(CCCCN2CCN(C(C)C)C[C@H]2C)CC1.
What is the InChIKey of (2R)-1-[4-(4-methoxycyclohexyl)butyl]-2-methyl-4-propan-2-ylpiperazine?
The InChIKey is ZPUCGLUKVKXSOZ-LMDPOFIKSA-N. The full InChI is InChI=1S/C19H38N2O/c1-16(2)21-14-13-20(17(3)15-21)12-6-5-7-18-8-10-19(22-4)11-9-18/h16-19H,5-15H2,1-4H3/t17-,18?,19?/m1/s1.
What are the key properties of (2R)-1-[4-(4-methoxycyclohexyl)butyl]-2-methyl-4-propan-2-ylpiperazine?
(2R)-1-[4-(4-methoxycyclohexyl)butyl]-2-methyl-4-propan-2-ylpiperazine has a molecular weight of 310.53 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(4-methoxycyclohexyl)butyl]-2-methyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 175636165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).