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

C15H28N2O — CID 15906528

IUPAC(1S,2S,4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CC[C@](C)(O)[C@@H](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-ILXRZTDVSA-N
MW252.40 g/mol
LogP1.73
Rot. Bonds2

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

(1S,2S,4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 15906528) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (1S,2S,4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID15906528
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(1S,2S,4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CC[C@](C)(O)[C@@H](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-ILXRZTDVSA-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 (1S,2S,4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of (1S,2S,4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol (CID 15906528) is (1S,2S,4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1S,2S,4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for (1S,2S,4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](N2CCN(C)CC2)C1.
What is the InChIKey of (1S,2S,4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is SSQBZBOINSZHQD-ILXRZTDVSA-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 (1S,2S,4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol?
(1S,2S,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 (1S,2S,4R)-1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 15906528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).