[1-(cyclohex-3-en-1-ylmethyl)piperidin-2-yl]methanol

C13H23NO — CID 115879646

IUPAC[1-(cyclohex-3-en-1-ylmethyl)piperidin-2-yl]methanol
SMILESOCC1CCCCN1CC1CC=CCC1
InChIInChI=1S/C13H23NO/c15-11-13-8-4-5-9-14(13)10-12-6-2-1-3-7-12/h1-2,12-13,15H,3-11H2
InChIKeyIQYBJZOPUKUYOV-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.19
Rot. Bonds3

About [1-(cyclohex-3-en-1-ylmethyl)piperidin-2-yl]methanol

[1-(cyclohex-3-en-1-ylmethyl)piperidin-2-yl]methanol (PubChem CID 115879646) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is [1-(cyclohex-3-en-1-ylmethyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(cyclohex-3-en-1-ylmethyl)piperidin-2-yl]methanol
PubChem CID115879646
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name[1-(cyclohex-3-en-1-ylmethyl)piperidin-2-yl]methanol
SMILESOCC1CCCCN1CC1CC=CCC1
InChIInChI=1S/C13H23NO/c15-11-13-8-4-5-9-14(13)10-12-6-2-1-3-7-12/h1-2,12-13,15H,3-11H2
InChIKeyIQYBJZOPUKUYOV-UHFFFAOYSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.19
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 [1-(cyclohex-3-en-1-ylmethyl)piperidin-2-yl]methanol?
The IUPAC name of [1-(cyclohex-3-en-1-ylmethyl)piperidin-2-yl]methanol (CID 115879646) is [1-(cyclohex-3-en-1-ylmethyl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(cyclohex-3-en-1-ylmethyl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(cyclohex-3-en-1-ylmethyl)piperidin-2-yl]methanol is OCC1CCCCN1CC1CC=CCC1.
What is the InChIKey of [1-(cyclohex-3-en-1-ylmethyl)piperidin-2-yl]methanol?
The InChIKey is IQYBJZOPUKUYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c15-11-13-8-4-5-9-14(13)10-12-6-2-1-3-7-12/h1-2,12-13,15H,3-11H2.
What are the key properties of [1-(cyclohex-3-en-1-ylmethyl)piperidin-2-yl]methanol?
[1-(cyclohex-3-en-1-ylmethyl)piperidin-2-yl]methanol has a molecular weight of 209.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohex-3-en-1-ylmethyl)piperidin-2-yl]methanol is sourced from PubChem (CID 115879646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).