1-[2-(azetidin-3-ylidene)propyl]-3,5-dimethylpiperidine

C13H24N2 — CID 116679275

IUPAC1-[2-(azetidin-3-ylidene)propyl]-3,5-dimethylpiperidine
SMILESCC(CN1CC(C)CC(C)C1)=C1CNC1
InChIInChI=1S/C13H24N2/c1-10-4-11(2)8-15(7-10)9-12(3)13-5-14-6-13/h10-11,14H,4-9H2,1-3H3
InChIKeyCHICCWWSFUKAIP-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.88
Rot. Bonds2

About 1-[2-(azetidin-3-ylidene)propyl]-3,5-dimethylpiperidine

1-[2-(azetidin-3-ylidene)propyl]-3,5-dimethylpiperidine (PubChem CID 116679275) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-[2-(azetidin-3-ylidene)propyl]-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-[2-(azetidin-3-ylidene)propyl]-3,5-dimethylpiperidine
PubChem CID116679275
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-[2-(azetidin-3-ylidene)propyl]-3,5-dimethylpiperidine
SMILESCC(CN1CC(C)CC(C)C1)=C1CNC1
InChIInChI=1S/C13H24N2/c1-10-4-11(2)8-15(7-10)9-12(3)13-5-14-6-13/h10-11,14H,4-9H2,1-3H3
InChIKeyCHICCWWSFUKAIP-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.88
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 1-[2-(azetidin-3-ylidene)propyl]-3,5-dimethylpiperidine?
The IUPAC name of 1-[2-(azetidin-3-ylidene)propyl]-3,5-dimethylpiperidine (CID 116679275) is 1-[2-(azetidin-3-ylidene)propyl]-3,5-dimethylpiperidine.
What is the SMILES notation for 1-[2-(azetidin-3-ylidene)propyl]-3,5-dimethylpiperidine?
The canonical SMILES for 1-[2-(azetidin-3-ylidene)propyl]-3,5-dimethylpiperidine is CC(CN1CC(C)CC(C)C1)=C1CNC1.
What is the InChIKey of 1-[2-(azetidin-3-ylidene)propyl]-3,5-dimethylpiperidine?
The InChIKey is CHICCWWSFUKAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-10-4-11(2)8-15(7-10)9-12(3)13-5-14-6-13/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 1-[2-(azetidin-3-ylidene)propyl]-3,5-dimethylpiperidine?
1-[2-(azetidin-3-ylidene)propyl]-3,5-dimethylpiperidine has a molecular weight of 208.35 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-ylidene)propyl]-3,5-dimethylpiperidine is sourced from PubChem (CID 116679275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).