2-(4-methoxy-2,3-dimethylbut-2-enyl)piperidine

C12H23NO — CID 104863212

IUPAC2-(4-methoxy-2,3-dimethylbut-2-enyl)piperidine
SMILESCOCC(C)=C(C)CC1CCCCN1
InChIInChI=1S/C12H23NO/c1-10(11(2)9-14-3)8-12-6-4-5-7-13-12/h12-13H,4-9H2,1-3H3
InChIKeySBVNRIQQWNEFMQ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds4

About 2-(4-methoxy-2,3-dimethylbut-2-enyl)piperidine

2-(4-methoxy-2,3-dimethylbut-2-enyl)piperidine (PubChem CID 104863212) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(4-methoxy-2,3-dimethylbut-2-enyl)piperidine.

Molecular Properties

Compound Name2-(4-methoxy-2,3-dimethylbut-2-enyl)piperidine
PubChem CID104863212
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(4-methoxy-2,3-dimethylbut-2-enyl)piperidine
SMILESCOCC(C)=C(C)CC1CCCCN1
InChIInChI=1S/C12H23NO/c1-10(11(2)9-14-3)8-12-6-4-5-7-13-12/h12-13H,4-9H2,1-3H3
InChIKeySBVNRIQQWNEFMQ-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(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-[2-(Oxolan-3-ylidene)propyl]piperidine
CID 104855404
3-(1-Methoxypropan-2-ylidene)piperidine
CID 104863207
2-(5-Methoxy-2,3-dimethylpent-2-enyl)piperidine
CID 104881766
2-[2-(Oxan-3-ylidene)propyl]piperidine
CID 107138036
4-(1-Methoxypropan-2-ylidene)piperidine
CID 116092373
2-[(E)-3-methoxyprop-1-enyl]piperidine
CID 126845430
2-[(2E)-2-(oxolan-3-ylidene)propyl]piperidine
CID 133666212
2-[(1E)-1-(oxolan-3-ylidene)ethyl]piperidine
CID 133671150
(5E)-2-methyl-5-(oxan-3-ylidene)piperidine
CID 133671669

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,3-dimethylbut-2-enyl)piperidine?
The IUPAC name of 2-(4-methoxy-2,3-dimethylbut-2-enyl)piperidine (CID 104863212) is 2-(4-methoxy-2,3-dimethylbut-2-enyl)piperidine.
What is the SMILES notation for 2-(4-methoxy-2,3-dimethylbut-2-enyl)piperidine?
The canonical SMILES for 2-(4-methoxy-2,3-dimethylbut-2-enyl)piperidine is COCC(C)=C(C)CC1CCCCN1.
What is the InChIKey of 2-(4-methoxy-2,3-dimethylbut-2-enyl)piperidine?
The InChIKey is SBVNRIQQWNEFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(11(2)9-14-3)8-12-6-4-5-7-13-12/h12-13H,4-9H2,1-3H3.
What are the key properties of 2-(4-methoxy-2,3-dimethylbut-2-enyl)piperidine?
2-(4-methoxy-2,3-dimethylbut-2-enyl)piperidine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,3-dimethylbut-2-enyl)piperidine is sourced from PubChem (CID 104863212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).