1-(1-buta-1,3-dien-2-ylazetidin-3-yl)piperidine

C12H20N2 — CID 165114257

IUPAC1-(1-buta-1,3-dien-2-ylazetidin-3-yl)piperidine
SMILESC=CC(=C)N1CC(N2CCCCC2)C1
InChIInChI=1S/C12H20N2/c1-3-11(2)14-9-12(10-14)13-7-5-4-6-8-13/h3,12H,1-2,4-10H2
InChIKeyZQQDZUANHKTGDC-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.86
Rot. Bonds3

About 1-(1-buta-1,3-dien-2-ylazetidin-3-yl)piperidine

1-(1-buta-1,3-dien-2-ylazetidin-3-yl)piperidine (PubChem CID 165114257) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(1-buta-1,3-dien-2-ylazetidin-3-yl)piperidine.

Molecular Properties

Compound Name1-(1-buta-1,3-dien-2-ylazetidin-3-yl)piperidine
PubChem CID165114257
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-(1-buta-1,3-dien-2-ylazetidin-3-yl)piperidine
SMILESC=CC(=C)N1CC(N2CCCCC2)C1
InChIInChI=1S/C12H20N2/c1-3-11(2)14-9-12(10-14)13-7-5-4-6-8-13/h3,12H,1-2,4-10H2
InChIKeyZQQDZUANHKTGDC-UHFFFAOYSA-N
XLogP1.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-buta-1,3-dien-2-ylazetidin-3-yl)piperidine?
The IUPAC name of 1-(1-buta-1,3-dien-2-ylazetidin-3-yl)piperidine (CID 165114257) is 1-(1-buta-1,3-dien-2-ylazetidin-3-yl)piperidine.
What is the SMILES notation for 1-(1-buta-1,3-dien-2-ylazetidin-3-yl)piperidine?
The canonical SMILES for 1-(1-buta-1,3-dien-2-ylazetidin-3-yl)piperidine is C=CC(=C)N1CC(N2CCCCC2)C1.
What is the InChIKey of 1-(1-buta-1,3-dien-2-ylazetidin-3-yl)piperidine?
The InChIKey is ZQQDZUANHKTGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-11(2)14-9-12(10-14)13-7-5-4-6-8-13/h3,12H,1-2,4-10H2.
What are the key properties of 1-(1-buta-1,3-dien-2-ylazetidin-3-yl)piperidine?
1-(1-buta-1,3-dien-2-ylazetidin-3-yl)piperidine has a molecular weight of 192.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-buta-1,3-dien-2-ylazetidin-3-yl)piperidine is sourced from PubChem (CID 165114257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).