1-[2-(azetidin-3-ylidene)propyl]-4-methylpiperidine

C12H22N2 — CID 116679172

IUPAC1-[2-(azetidin-3-ylidene)propyl]-4-methylpiperidine
SMILESCC(CN1CCC(C)CC1)=C1CNC1
InChIInChI=1S/C12H22N2/c1-10-3-5-14(6-4-10)9-11(2)12-7-13-8-12/h10,13H,3-9H2,1-2H3
InChIKeyHSWMIZLVJNLGHX-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.64
Rot. Bonds2

About 1-[2-(azetidin-3-ylidene)propyl]-4-methylpiperidine

1-[2-(azetidin-3-ylidene)propyl]-4-methylpiperidine (PubChem CID 116679172) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-[2-(azetidin-3-ylidene)propyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[2-(azetidin-3-ylidene)propyl]-4-methylpiperidine
PubChem CID116679172
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-[2-(azetidin-3-ylidene)propyl]-4-methylpiperidine
SMILESCC(CN1CCC(C)CC1)=C1CNC1
InChIInChI=1S/C12H22N2/c1-10-3-5-14(6-4-10)9-11(2)12-7-13-8-12/h10,13H,3-9H2,1-2H3
InChIKeyHSWMIZLVJNLGHX-UHFFFAOYSA-N
XLogP1.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.64
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]-4-methylpiperidine?
The IUPAC name of 1-[2-(azetidin-3-ylidene)propyl]-4-methylpiperidine (CID 116679172) is 1-[2-(azetidin-3-ylidene)propyl]-4-methylpiperidine.
What is the SMILES notation for 1-[2-(azetidin-3-ylidene)propyl]-4-methylpiperidine?
The canonical SMILES for 1-[2-(azetidin-3-ylidene)propyl]-4-methylpiperidine is CC(CN1CCC(C)CC1)=C1CNC1.
What is the InChIKey of 1-[2-(azetidin-3-ylidene)propyl]-4-methylpiperidine?
The InChIKey is HSWMIZLVJNLGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-10-3-5-14(6-4-10)9-11(2)12-7-13-8-12/h10,13H,3-9H2,1-2H3.
What are the key properties of 1-[2-(azetidin-3-ylidene)propyl]-4-methylpiperidine?
1-[2-(azetidin-3-ylidene)propyl]-4-methylpiperidine has a molecular weight of 194.32 g/mol, XLogP of 1.64, 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]-4-methylpiperidine is sourced from PubChem (CID 116679172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).