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

C15H27NO — CID 15906527

IUPAC(1S,2S,4R)-1-methyl-2-piperidin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CC[C@](C)(O)[C@@H](N2CCCCC2)C1
InChIInChI=1S/C15H27NO/c1-12(2)13-7-8-15(3,17)14(11-13)16-9-5-4-6-10-16/h13-14,17H,1,4-11H2,2-3H3/t13-,14+,15+/m1/s1
InChIKeyUWOYRXVZLBVWBX-ILXRZTDVSA-N
MW237.39 g/mol
LogP2.97
Rot. Bonds2

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

(1S,2S,4R)-1-methyl-2-piperidin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 15906527) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (1S,2S,4R)-1-methyl-2-piperidin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,4R)-1-methyl-2-piperidin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID15906527
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(1S,2S,4R)-1-methyl-2-piperidin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CC[C@](C)(O)[C@@H](N2CCCCC2)C1
InChIInChI=1S/C15H27NO/c1-12(2)13-7-8-15(3,17)14(11-13)16-9-5-4-6-10-16/h13-14,17H,1,4-11H2,2-3H3/t13-,14+,15+/m1/s1
InChIKeyUWOYRXVZLBVWBX-ILXRZTDVSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-piperidin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of (1S,2S,4R)-1-methyl-2-piperidin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol (CID 15906527) is (1S,2S,4R)-1-methyl-2-piperidin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1S,2S,4R)-1-methyl-2-piperidin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for (1S,2S,4R)-1-methyl-2-piperidin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](N2CCCCC2)C1.
What is the InChIKey of (1S,2S,4R)-1-methyl-2-piperidin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is UWOYRXVZLBVWBX-ILXRZTDVSA-N. The full InChI is InChI=1S/C15H27NO/c1-12(2)13-7-8-15(3,17)14(11-13)16-9-5-4-6-10-16/h13-14,17H,1,4-11H2,2-3H3/t13-,14+,15+/m1/s1.
What are the key properties of (1S,2S,4R)-1-methyl-2-piperidin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol?
(1S,2S,4R)-1-methyl-2-piperidin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 237.39 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-1-methyl-2-piperidin-1-yl-4-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 15906527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).