(2S,6R)-1-(4-cyclohexylbutyl)-2,4,6-trimethylpiperazine;methanol

C18H38N2O — CID 170569285

IUPAC(2S,6R)-1-(4-cyclohexylbutyl)-2,4,6-trimethylpiperazine;methanol
SMILESCO.C[C@@H]1CN(C)C[C@H](C)N1CCCCC1CCCCC1
InChIInChI=1S/C17H34N2.CH4O/c1-15-13-18(3)14-16(2)19(15)12-8-7-11-17-9-5-4-6-10-17;1-2/h15-17H,4-14H2,1-3H3;2H,1H3/t15-,16+;
InChIKeyCCPRYFMBZYZGQO-FAESNJTISA-N
MW298.51 g/mol
LogP3.37
Rot. Bonds5

About (2S,6R)-1-(4-cyclohexylbutyl)-2,4,6-trimethylpiperazine;methanol

(2S,6R)-1-(4-cyclohexylbutyl)-2,4,6-trimethylpiperazine;methanol (PubChem CID 170569285) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is (2S,6R)-1-(4-cyclohexylbutyl)-2,4,6-trimethylpiperazine;methanol.

Molecular Properties

Compound Name(2S,6R)-1-(4-cyclohexylbutyl)-2,4,6-trimethylpiperazine;methanol
PubChem CID170569285
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name(2S,6R)-1-(4-cyclohexylbutyl)-2,4,6-trimethylpiperazine;methanol
SMILESCO.C[C@@H]1CN(C)C[C@H](C)N1CCCCC1CCCCC1
InChIInChI=1S/C17H34N2.CH4O/c1-15-13-18(3)14-16(2)19(15)12-8-7-11-17-9-5-4-6-10-17;1-2/h15-17H,4-14H2,1-3H3;2H,1H3/t15-,16+;
InChIKeyCCPRYFMBZYZGQO-FAESNJTISA-N
XLogP3.37
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
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 (2S,6R)-1-(4-cyclohexylbutyl)-2,4,6-trimethylpiperazine;methanol?
The IUPAC name of (2S,6R)-1-(4-cyclohexylbutyl)-2,4,6-trimethylpiperazine;methanol (CID 170569285) is (2S,6R)-1-(4-cyclohexylbutyl)-2,4,6-trimethylpiperazine;methanol.
What is the SMILES notation for (2S,6R)-1-(4-cyclohexylbutyl)-2,4,6-trimethylpiperazine;methanol?
The canonical SMILES for (2S,6R)-1-(4-cyclohexylbutyl)-2,4,6-trimethylpiperazine;methanol is CO.C[C@@H]1CN(C)C[C@H](C)N1CCCCC1CCCCC1.
What is the InChIKey of (2S,6R)-1-(4-cyclohexylbutyl)-2,4,6-trimethylpiperazine;methanol?
The InChIKey is CCPRYFMBZYZGQO-FAESNJTISA-N. The full InChI is InChI=1S/C17H34N2.CH4O/c1-15-13-18(3)14-16(2)19(15)12-8-7-11-17-9-5-4-6-10-17;1-2/h15-17H,4-14H2,1-3H3;2H,1H3/t15-,16+;.
What are the key properties of (2S,6R)-1-(4-cyclohexylbutyl)-2,4,6-trimethylpiperazine;methanol?
(2S,6R)-1-(4-cyclohexylbutyl)-2,4,6-trimethylpiperazine;methanol has a molecular weight of 298.51 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-1-(4-cyclohexylbutyl)-2,4,6-trimethylpiperazine;methanol is sourced from PubChem (CID 170569285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).