4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol

C13H19NO — CID 162372007

IUPAC4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol
SMILESOC1(C#CC2=CCCCC2)CCNCC1
InChIInChI=1S/C13H19NO/c15-13(8-10-14-11-9-13)7-6-12-4-2-1-3-5-12/h4,14-15H,1-3,5,8-11H2
InChIKeyJIAYOBYLBOVMAU-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.60
Rot. Bonds

About 4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol

4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol (PubChem CID 162372007) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol
PubChem CID162372007
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol
SMILESOC1(C#CC2=CCCCC2)CCNCC1
InChIInChI=1S/C13H19NO/c15-13(8-10-14-11-9-13)7-6-12-4-2-1-3-5-12/h4,14-15H,1-3,5,8-11H2
InChIKeyJIAYOBYLBOVMAU-UHFFFAOYSA-N
XLogP1.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(Cyclohexen-1-yl)ethynyl]piperidin-4-ol;hydrochloride
CID 162372006
4-[2-(Cyclohexen-1-yl)ethynyl]-4-methoxypiperidine;hydrochloride
CID 162372029
4-methylpiperidin-4-ol;(E)-non-4-ene
CID 170590699
4-[2-(Cyclohexen-1-yl)ethylamino]-2-methylbutan-2-ol
CID 79359601
4-(Aminomethyl)-1-[2-(cyclohexen-1-yl)ethyl]piperidin-4-ol
CID 82292267
4-[2-(Cyclohexen-1-yl)ethynyl]-4-methoxypiperidine
CID 162372030
2-Methyl-4-(4-methylpent-3-en-1-yl)piperidin-4-ol
CID 164654098

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol?
The IUPAC name of 4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol (CID 162372007) is 4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol.
What is the SMILES notation for 4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol?
The canonical SMILES for 4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol is OC1(C#CC2=CCCCC2)CCNCC1.
What is the InChIKey of 4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol?
The InChIKey is JIAYOBYLBOVMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c15-13(8-10-14-11-9-13)7-6-12-4-2-1-3-5-12/h4,14-15H,1-3,5,8-11H2.
What are the key properties of 4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol?
4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol has a molecular weight of 205.30 g/mol, XLogP of 1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol is sourced from PubChem (CID 162372007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).