(4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol

C15H28N2O — CID 59881049

IUPAC(4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CCC(C)(O)C(N2CCN(C)CC2)C1
InChIInChI=1S/C15H28N2O/c1-12(2)13-5-6-15(3,18)14(11-13)17-9-7-16(4)8-10-17/h13-14,18H,1,5-11H2,2-4H3/t13-,14?,15?/m1/s1
InChIKeySSQBZBOINSZHQD-WLYUNCDWSA-N
MW252.40 g/mol
LogP1.73
Rot. Bonds2

About (4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol

(4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 59881049) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID59881049
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CCC(C)(O)C(N2CCN(C)CC2)C1
InChIInChI=1S/C15H28N2O/c1-12(2)13-5-6-15(3,18)14(11-13)17-9-7-16(4)8-10-17/h13-14,18H,1,5-11H2,2-4H3/t13-,14?,15?/m1/s1
InChIKeySSQBZBOINSZHQD-WLYUNCDWSA-N
XLogP1.73
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of (4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol (CID 59881049) is (4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for (4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for (4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)[C@@H]1CCC(C)(O)C(N2CCN(C)CC2)C1.
What is the InChIKey of (4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is SSQBZBOINSZHQD-WLYUNCDWSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12(2)13-5-6-15(3,18)14(11-13)17-9-7-16(4)8-10-17/h13-14,18H,1,5-11H2,2-4H3/t13-,14?,15?/m1/s1.
What are the key properties of (4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol?
(4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 252.40 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 59881049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).