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

C14H26N2O — CID 15906530

IUPAC(1S,2S,4R)-1-methyl-2-piperazin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CC[C@](C)(O)[C@@H](N2CCNCC2)C1
InChIInChI=1S/C14H26N2O/c1-11(2)12-4-5-14(3,17)13(10-12)16-8-6-15-7-9-16/h12-13,15,17H,1,4-10H2,2-3H3/t12-,13+,14+/m1/s1
InChIKeyOIHSEHOHRXCGHW-RDBSUJKOSA-N
MW238.37 g/mol
LogP1.39
Rot. Bonds2

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

(1S,2S,4R)-1-methyl-2-piperazin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 15906530) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (1S,2S,4R)-1-methyl-2-piperazin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,4R)-1-methyl-2-piperazin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID15906530
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(1S,2S,4R)-1-methyl-2-piperazin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CC[C@](C)(O)[C@@H](N2CCNCC2)C1
InChIInChI=1S/C14H26N2O/c1-11(2)12-4-5-14(3,17)13(10-12)16-8-6-15-7-9-16/h12-13,15,17H,1,4-10H2,2-3H3/t12-,13+,14+/m1/s1
InChIKeyOIHSEHOHRXCGHW-RDBSUJKOSA-N
XLogP1.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
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-piperazin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of (1S,2S,4R)-1-methyl-2-piperazin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol (CID 15906530) is (1S,2S,4R)-1-methyl-2-piperazin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1S,2S,4R)-1-methyl-2-piperazin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for (1S,2S,4R)-1-methyl-2-piperazin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](N2CCNCC2)C1.
What is the InChIKey of (1S,2S,4R)-1-methyl-2-piperazin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is OIHSEHOHRXCGHW-RDBSUJKOSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(2)12-4-5-14(3,17)13(10-12)16-8-6-15-7-9-16/h12-13,15,17H,1,4-10H2,2-3H3/t12-,13+,14+/m1/s1.
What are the key properties of (1S,2S,4R)-1-methyl-2-piperazin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol?
(1S,2S,4R)-1-methyl-2-piperazin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-1-methyl-2-piperazin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 15906530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).