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

C13H20ClNO — CID 162372006

IUPAC4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol;hydrochloride
SMILESCl.OC1(C#CC2=CCCCC2)CCNCC1
InChIInChI=1S/C13H19NO.ClH/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;1H
InChIKeyXUMOTZYCPCITID-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.03
Rot. Bonds

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

4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol;hydrochloride (PubChem CID 162372006) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol;hydrochloride
PubChem CID162372006
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol;hydrochloride
SMILESCl.OC1(C#CC2=CCCCC2)CCNCC1
InChIInChI=1S/C13H19NO.ClH/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;1H
InChIKeyXUMOTZYCPCITID-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol;hydrochloride?
The IUPAC name of 4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol;hydrochloride (CID 162372006) is 4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol;hydrochloride.
What is the SMILES notation for 4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol;hydrochloride?
The canonical SMILES for 4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol;hydrochloride is Cl.OC1(C#CC2=CCCCC2)CCNCC1.
What is the InChIKey of 4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol;hydrochloride?
The InChIKey is XUMOTZYCPCITID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/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;1H.
What are the key properties of 4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol;hydrochloride?
4-[2-(cyclohexen-1-yl)ethynyl]piperidin-4-ol;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 2.03, 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;hydrochloride is sourced from PubChem (CID 162372006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).