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

C13H23NO — CID 104855400

IUPAC2-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]piperidine
SMILESCC(=CC1CCCO1)CC1CCCCN1
InChIInChI=1S/C13H23NO/c1-11(10-13-6-4-8-15-13)9-12-5-2-3-7-14-12/h10,12-14H,2-9H2,1H3
InChIKeyMDFIOYMLSYWUBJ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.64
Rot. Bonds3

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

2-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]piperidine (PubChem CID 104855400) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]piperidine.

Molecular Properties

Compound Name2-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]piperidine
PubChem CID104855400
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]piperidine
SMILESCC(=CC1CCCO1)CC1CCCCN1
InChIInChI=1S/C13H23NO/c1-11(10-13-6-4-8-15-13)9-12-5-2-3-7-14-12/h10,12-14H,2-9H2,1H3
InChIKeyMDFIOYMLSYWUBJ-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Cyclopentenylmorpholine
CID 21924037
2-[(E)-hept-3-en-4-yl]morpholine
CID 68588038
2-Hept-3-en-4-ylmorpholine
CID 68588043
2-[(E)-oct-3-en-4-yl]morpholine
CID 68588523
2-Oct-3-en-4-ylmorpholine
CID 68588529
(1S,5R)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane
CID 118871700
(5S)-3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane
CID 118881760
3-(2-Methoxyethylidene)-8-azabicyclo[3.2.1]octane
CID 126845440
2-[(Z,2E)-2-ethylidene-1-propan-2-yloxypent-3-enyl]piperidine
CID 129055713
2-[Cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine
CID 144549752
(7R)-4,7-dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 172575137
4,7-Dimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 177956180

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]piperidine?
The IUPAC name of 2-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]piperidine (CID 104855400) is 2-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]piperidine.
What is the SMILES notation for 2-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]piperidine?
The canonical SMILES for 2-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]piperidine is CC(=CC1CCCO1)CC1CCCCN1.
What is the InChIKey of 2-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]piperidine?
The InChIKey is MDFIOYMLSYWUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11(10-13-6-4-8-15-13)9-12-5-2-3-7-14-12/h10,12-14H,2-9H2,1H3.
What are the key properties of 2-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]piperidine?
2-[2-methyl-3-(oxolan-2-yl)prop-2-enyl]piperidine has a molecular weight of 209.33 g/mol, XLogP of 2.64, 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-(oxolan-2-yl)prop-2-enyl]piperidine is sourced from PubChem (CID 104855400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).