(2R,4R,6S)-2-(cyclohexen-1-yl)-6-(hydroxymethyl)-1-methylpiperidin-4-ol

C13H23NO2 — CID 135075681

IUPAC(2R,4R,6S)-2-(cyclohexen-1-yl)-6-(hydroxymethyl)-1-methylpiperidin-4-ol
SMILESCN1[C@H](CO)C[C@H](O)C[C@@H]1C1=CCCCC1
InChIInChI=1S/C13H23NO2/c1-14-11(9-15)7-12(16)8-13(14)10-5-3-2-4-6-10/h5,11-13,15-16H,2-4,6-9H2,1H3/t11-,12-,13+/m0/s1
InChIKeyUTXRNMOYISAISE-RWMBFGLXSA-N
MW225.33 g/mol
LogP1.30
Rot. Bonds2

About (2R,4R,6S)-2-(cyclohexen-1-yl)-6-(hydroxymethyl)-1-methylpiperidin-4-ol

(2R,4R,6S)-2-(cyclohexen-1-yl)-6-(hydroxymethyl)-1-methylpiperidin-4-ol (PubChem CID 135075681) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (2R,4R,6S)-2-(cyclohexen-1-yl)-6-(hydroxymethyl)-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name(2R,4R,6S)-2-(cyclohexen-1-yl)-6-(hydroxymethyl)-1-methylpiperidin-4-ol
PubChem CID135075681
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(2R,4R,6S)-2-(cyclohexen-1-yl)-6-(hydroxymethyl)-1-methylpiperidin-4-ol
SMILESCN1[C@H](CO)C[C@H](O)C[C@@H]1C1=CCCCC1
InChIInChI=1S/C13H23NO2/c1-14-11(9-15)7-12(16)8-13(14)10-5-3-2-4-6-10/h5,11-13,15-16H,2-4,6-9H2,1H3/t11-,12-,13+/m0/s1
InChIKeyUTXRNMOYISAISE-RWMBFGLXSA-N
XLogP1.30
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,4R,6S)-2-(cyclohexen-1-yl)-6-(hydroxymethyl)-1-methylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R,7R,8aS)-5-(cyclohexen-1-yl)-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridin-7-ol
CID 135066613
3-Piperidin-1-yl-1,2,3,4,5,8-hexahydronaphthalen-2-ol
CID 21316451
(2S,3R)-3-piperidin-1-yl-1,2,3,4,5,8-hexahydronaphthalen-2-ol
CID 54095593
(2R,3R,4R,5S)-1-[4-(cyclohexen-1-yl)butyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 57574463
8-Methyl-8-azabicyclo[3.2.1]oct-6-ene-3,6-diol
CID 68023101
(1S,2R)-1-(cyclohexen-1-yl)-2-morpholin-4-ylpropan-1-ol
CID 68329624
(2R,3S)-3-piperidin-1-yl-1,2,3,4,5,8-hexahydronaphthalen-2-ol
CID 70609123
1-(Cyclohexa-1,5-dien-1-ylmethyl)-2-ethylpiperidin-4-ol
CID 87674939
2-(Hydroxymethyl)-1-[6-(4-methylcyclopenten-1-yl)hexyl]piperidin-4-ol
CID 143567049
(2S)-1-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-(hydroxymethyl)piperidin-4-one
CID 145658757
1-(2-Cyclohexa-1,5-dien-1-ylethyl)-2-(hydroxymethyl)piperidin-4-ol
CID 157039507
1-[(Z,5Z)-5-ethylidenenon-6-enyl]-2-(hydroxymethyl)piperidin-4-ol
CID 157039517

Frequently Asked Questions

What is the IUPAC name of (2R,4R,6S)-2-(cyclohexen-1-yl)-6-(hydroxymethyl)-1-methylpiperidin-4-ol?
The IUPAC name of (2R,4R,6S)-2-(cyclohexen-1-yl)-6-(hydroxymethyl)-1-methylpiperidin-4-ol (CID 135075681) is (2R,4R,6S)-2-(cyclohexen-1-yl)-6-(hydroxymethyl)-1-methylpiperidin-4-ol.
What is the SMILES notation for (2R,4R,6S)-2-(cyclohexen-1-yl)-6-(hydroxymethyl)-1-methylpiperidin-4-ol?
The canonical SMILES for (2R,4R,6S)-2-(cyclohexen-1-yl)-6-(hydroxymethyl)-1-methylpiperidin-4-ol is CN1[C@H](CO)C[C@H](O)C[C@@H]1C1=CCCCC1.
What is the InChIKey of (2R,4R,6S)-2-(cyclohexen-1-yl)-6-(hydroxymethyl)-1-methylpiperidin-4-ol?
The InChIKey is UTXRNMOYISAISE-RWMBFGLXSA-N. The full InChI is InChI=1S/C13H23NO2/c1-14-11(9-15)7-12(16)8-13(14)10-5-3-2-4-6-10/h5,11-13,15-16H,2-4,6-9H2,1H3/t11-,12-,13+/m0/s1.
What are the key properties of (2R,4R,6S)-2-(cyclohexen-1-yl)-6-(hydroxymethyl)-1-methylpiperidin-4-ol?
(2R,4R,6S)-2-(cyclohexen-1-yl)-6-(hydroxymethyl)-1-methylpiperidin-4-ol has a molecular weight of 225.33 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6S)-2-(cyclohexen-1-yl)-6-(hydroxymethyl)-1-methylpiperidin-4-ol is sourced from PubChem (CID 135075681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).