2-[2-methyl-3-(oxan-4-yl)prop-2-enyl]piperidine

C14H25NO — CID 104855403

IUPAC2-[2-methyl-3-(oxan-4-yl)prop-2-enyl]piperidine
SMILESCC(=CC1CCOCC1)CC1CCCCN1
InChIInChI=1S/C14H25NO/c1-12(10-13-5-8-16-9-6-13)11-14-4-2-3-7-15-14/h10,13-15H,2-9,11H2,1H3
InChIKeyQZTZNCJNEHKBHK-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.89
Rot. Bonds3

About 2-[2-methyl-3-(oxan-4-yl)prop-2-enyl]piperidine

2-[2-methyl-3-(oxan-4-yl)prop-2-enyl]piperidine (PubChem CID 104855403) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[2-methyl-3-(oxan-4-yl)prop-2-enyl]piperidine.

Molecular Properties

Compound Name2-[2-methyl-3-(oxan-4-yl)prop-2-enyl]piperidine
PubChem CID104855403
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-[2-methyl-3-(oxan-4-yl)prop-2-enyl]piperidine
SMILESCC(=CC1CCOCC1)CC1CCCCN1
InChIInChI=1S/C14H25NO/c1-12(10-13-5-8-16-9-6-13)11-14-4-2-3-7-15-14/h10,13-15H,2-9,11H2,1H3
InChIKeyQZTZNCJNEHKBHK-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.89
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 2-[2-methyl-3-(oxan-4-yl)prop-2-enyl]piperidine?
The IUPAC name of 2-[2-methyl-3-(oxan-4-yl)prop-2-enyl]piperidine (CID 104855403) is 2-[2-methyl-3-(oxan-4-yl)prop-2-enyl]piperidine.
What is the SMILES notation for 2-[2-methyl-3-(oxan-4-yl)prop-2-enyl]piperidine?
The canonical SMILES for 2-[2-methyl-3-(oxan-4-yl)prop-2-enyl]piperidine is CC(=CC1CCOCC1)CC1CCCCN1.
What is the InChIKey of 2-[2-methyl-3-(oxan-4-yl)prop-2-enyl]piperidine?
The InChIKey is QZTZNCJNEHKBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-12(10-13-5-8-16-9-6-13)11-14-4-2-3-7-15-14/h10,13-15H,2-9,11H2,1H3.
What are the key properties of 2-[2-methyl-3-(oxan-4-yl)prop-2-enyl]piperidine?
2-[2-methyl-3-(oxan-4-yl)prop-2-enyl]piperidine has a molecular weight of 223.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-(oxan-4-yl)prop-2-enyl]piperidine is sourced from PubChem (CID 104855403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).