2-(5-methoxy-2,3-dimethylpent-2-enyl)piperidine

C13H25NO — CID 104881766

IUPAC2-(5-methoxy-2,3-dimethylpent-2-enyl)piperidine
SMILESCOCCC(C)=C(C)CC1CCCCN1
InChIInChI=1S/C13H25NO/c1-11(7-9-15-3)12(2)10-13-6-4-5-8-14-13/h13-14H,4-10H2,1-3H3
InChIKeyLKSPYSBJLWVHGC-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.89
Rot. Bonds5

About 2-(5-methoxy-2,3-dimethylpent-2-enyl)piperidine

2-(5-methoxy-2,3-dimethylpent-2-enyl)piperidine (PubChem CID 104881766) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(5-methoxy-2,3-dimethylpent-2-enyl)piperidine.

Molecular Properties

Compound Name2-(5-methoxy-2,3-dimethylpent-2-enyl)piperidine
PubChem CID104881766
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-(5-methoxy-2,3-dimethylpent-2-enyl)piperidine
SMILESCOCCC(C)=C(C)CC1CCCCN1
InChIInChI=1S/C13H25NO/c1-11(7-9-15-3)12(2)10-13-6-4-5-8-14-13/h13-14H,4-10H2,1-3H3
InChIKeyLKSPYSBJLWVHGC-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
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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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-4-methoxybutan-2-amine
CID 61866398
N-[2-(cyclohexen-1-yl)ethyl]-1-methoxybutan-2-amine
CID 64398055
2-(2,3-Dimethylpent-2-enyl)piperidine
CID 104855389
2-[2-(Oxolan-3-ylidene)propyl]piperidine
CID 104855404
2-(4-Methoxy-2,3-dimethylbut-2-enyl)piperidine
CID 104863212
3-(4-Methoxybutan-2-ylidene)piperidine
CID 104881761
2-[2-(Oxan-3-ylidene)propyl]piperidine
CID 107138036
2-(2,3-Dimethylhex-2-enyl)piperidine
CID 107889214
2-(2,3-Dimethylbut-2-enyl)piperidine
CID 116010618
2-(3-Ethyl-2-methylpent-2-enyl)piperidine
CID 116010652
2-[2-(Oxan-4-ylidene)propyl]piperidine
CID 116010704
4-(4-Methoxybutan-2-ylidene)piperidine
CID 116500409

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2,3-dimethylpent-2-enyl)piperidine?
The IUPAC name of 2-(5-methoxy-2,3-dimethylpent-2-enyl)piperidine (CID 104881766) is 2-(5-methoxy-2,3-dimethylpent-2-enyl)piperidine.
What is the SMILES notation for 2-(5-methoxy-2,3-dimethylpent-2-enyl)piperidine?
The canonical SMILES for 2-(5-methoxy-2,3-dimethylpent-2-enyl)piperidine is COCCC(C)=C(C)CC1CCCCN1.
What is the InChIKey of 2-(5-methoxy-2,3-dimethylpent-2-enyl)piperidine?
The InChIKey is LKSPYSBJLWVHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(7-9-15-3)12(2)10-13-6-4-5-8-14-13/h13-14H,4-10H2,1-3H3.
What are the key properties of 2-(5-methoxy-2,3-dimethylpent-2-enyl)piperidine?
2-(5-methoxy-2,3-dimethylpent-2-enyl)piperidine has a molecular weight of 211.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2,3-dimethylpent-2-enyl)piperidine is sourced from PubChem (CID 104881766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).