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

C14H22ClNO — CID 162372029

IUPAC4-[2-(cyclohexen-1-yl)ethynyl]-4-methoxypiperidine;hydrochloride
SMILESCOC1(C#CC2=CCCCC2)CCNCC1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-16-14(9-11-15-12-10-14)8-7-13-5-3-2-4-6-13;/h5,15H,2-4,6,9-12H2,1H3;1H
InChIKeyWYBWTUDASINCER-UHFFFAOYSA-N
MW255.79 g/mol
LogP2.68
Rot. Bonds1

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

4-[2-(cyclohexen-1-yl)ethynyl]-4-methoxypiperidine;hydrochloride (PubChem CID 162372029) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 4-[2-(cyclohexen-1-yl)ethynyl]-4-methoxypiperidine;hydrochloride.

Molecular Properties

Compound Name4-[2-(cyclohexen-1-yl)ethynyl]-4-methoxypiperidine;hydrochloride
PubChem CID162372029
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name4-[2-(cyclohexen-1-yl)ethynyl]-4-methoxypiperidine;hydrochloride
SMILESCOC1(C#CC2=CCCCC2)CCNCC1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-16-14(9-11-15-12-10-14)8-7-13-5-3-2-4-6-13;/h5,15H,2-4,6,9-12H2,1H3;1H
InChIKeyWYBWTUDASINCER-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 52.68
H-Bond Donors ≤ 51
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]-4-methoxypiperidine;hydrochloride?
The IUPAC name of 4-[2-(cyclohexen-1-yl)ethynyl]-4-methoxypiperidine;hydrochloride (CID 162372029) is 4-[2-(cyclohexen-1-yl)ethynyl]-4-methoxypiperidine;hydrochloride.
What is the SMILES notation for 4-[2-(cyclohexen-1-yl)ethynyl]-4-methoxypiperidine;hydrochloride?
The canonical SMILES for 4-[2-(cyclohexen-1-yl)ethynyl]-4-methoxypiperidine;hydrochloride is COC1(C#CC2=CCCCC2)CCNCC1.Cl.
What is the InChIKey of 4-[2-(cyclohexen-1-yl)ethynyl]-4-methoxypiperidine;hydrochloride?
The InChIKey is WYBWTUDASINCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.ClH/c1-16-14(9-11-15-12-10-14)8-7-13-5-3-2-4-6-13;/h5,15H,2-4,6,9-12H2,1H3;1H.
What are the key properties of 4-[2-(cyclohexen-1-yl)ethynyl]-4-methoxypiperidine;hydrochloride?
4-[2-(cyclohexen-1-yl)ethynyl]-4-methoxypiperidine;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexen-1-yl)ethynyl]-4-methoxypiperidine;hydrochloride is sourced from PubChem (CID 162372029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).