4-(cyclohepten-1-yl)-3-methylpiperidin-4-ol

C13H23NO — CID 106651646

IUPAC4-(cyclohepten-1-yl)-3-methylpiperidin-4-ol
SMILESCC1CNCCC1(O)C1=CCCCCC1
InChIInChI=1S/C13H23NO/c1-11-10-14-9-8-13(11,15)12-6-4-2-3-5-7-12/h6,11,14-15H,2-5,7-10H2,1H3
InChIKeyNWZOQIGFMMVVKD-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.24
Rot. Bonds1

About 4-(cyclohepten-1-yl)-3-methylpiperidin-4-ol

4-(cyclohepten-1-yl)-3-methylpiperidin-4-ol (PubChem CID 106651646) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-(cyclohepten-1-yl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-(cyclohepten-1-yl)-3-methylpiperidin-4-ol
PubChem CID106651646
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-(cyclohepten-1-yl)-3-methylpiperidin-4-ol
SMILESCC1CNCCC1(O)C1=CCCCCC1
InChIInChI=1S/C13H23NO/c1-11-10-14-9-8-13(11,15)12-6-4-2-3-5-7-12/h6,11,14-15H,2-5,7-10H2,1H3
InChIKeyNWZOQIGFMMVVKD-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[(2S)-5-(propylamino)pentan-2-yl]cyclohex-3-en-1-ol
CID 89899534
4-(Cyclohepta-1,3-dien-1-ylmethyl)piperidin-4-ol
CID 91096213
1-(3,4-Dimethylcyclohexen-1-yl)-1-(methylamino)ethanol
CID 123955518
(8Z,10Z)-7-methylidene-6-piperidin-3-yldodeca-1,8,10-trien-6-ol
CID 143215332
4-(3-Cyclohepta-1,4,6-trien-1-ylpropyl)piperidin-4-ol;ethane;pentane;prop-1-ene
CID 144056536
4-(6-Methylcyclohexa-1,3-dien-1-yl)piperidin-4-ol
CID 164066883
1-[3-(Butylamino)prop-1-en-2-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 10400546
(3R,4S)-3-(cyclohepten-1-yl)piperidin-4-ol
CID 11499375
(3S,4S)-3-(cyclohepten-1-yl)piperidin-4-ol
CID 11708221
(2S,4R)-2-methyl-4-[(E)-prop-1-enyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol
CID 12883327
(5R)-1-[3-(butylamino)prop-1-en-2-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 14964967
3-(2-Methylprop-1-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 79190226

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohepten-1-yl)-3-methylpiperidin-4-ol?
The IUPAC name of 4-(cyclohepten-1-yl)-3-methylpiperidin-4-ol (CID 106651646) is 4-(cyclohepten-1-yl)-3-methylpiperidin-4-ol.
What is the SMILES notation for 4-(cyclohepten-1-yl)-3-methylpiperidin-4-ol?
The canonical SMILES for 4-(cyclohepten-1-yl)-3-methylpiperidin-4-ol is CC1CNCCC1(O)C1=CCCCCC1.
What is the InChIKey of 4-(cyclohepten-1-yl)-3-methylpiperidin-4-ol?
The InChIKey is NWZOQIGFMMVVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11-10-14-9-8-13(11,15)12-6-4-2-3-5-7-12/h6,11,14-15H,2-5,7-10H2,1H3.
What are the key properties of 4-(cyclohepten-1-yl)-3-methylpiperidin-4-ol?
4-(cyclohepten-1-yl)-3-methylpiperidin-4-ol has a molecular weight of 209.33 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohepten-1-yl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 106651646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).