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

C14H21NO — CID 162372030

IUPAC4-[2-(cyclohexen-1-yl)ethynyl]-4-methoxypiperidine
SMILESCOC1(C#CC2=CCCCC2)CCNCC1
InChIInChI=1S/C14H21NO/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
InChIKeyYUBYLTAKIKVUAJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.26
Rot. Bonds1

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

4-[2-(cyclohexen-1-yl)ethynyl]-4-methoxypiperidine (PubChem CID 162372030) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-[2-(cyclohexen-1-yl)ethynyl]-4-methoxypiperidine.

Molecular Properties

Compound Name4-[2-(cyclohexen-1-yl)ethynyl]-4-methoxypiperidine
PubChem CID162372030
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-[2-(cyclohexen-1-yl)ethynyl]-4-methoxypiperidine
SMILESCOC1(C#CC2=CCCCC2)CCNCC1
InChIInChI=1S/C14H21NO/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
InChIKeyYUBYLTAKIKVUAJ-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.26
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?
The IUPAC name of 4-[2-(cyclohexen-1-yl)ethynyl]-4-methoxypiperidine (CID 162372030) is 4-[2-(cyclohexen-1-yl)ethynyl]-4-methoxypiperidine.
What is the SMILES notation for 4-[2-(cyclohexen-1-yl)ethynyl]-4-methoxypiperidine?
The canonical SMILES for 4-[2-(cyclohexen-1-yl)ethynyl]-4-methoxypiperidine is COC1(C#CC2=CCCCC2)CCNCC1.
What is the InChIKey of 4-[2-(cyclohexen-1-yl)ethynyl]-4-methoxypiperidine?
The InChIKey is YUBYLTAKIKVUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/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.
What are the key properties of 4-[2-(cyclohexen-1-yl)ethynyl]-4-methoxypiperidine?
4-[2-(cyclohexen-1-yl)ethynyl]-4-methoxypiperidine has a molecular weight of 219.33 g/mol, XLogP of 2.26, 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 is sourced from PubChem (CID 162372030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).