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

C14H26N2 — CID 103497512

IUPAC1-[2-(azetidin-3-ylidene)propyl]-4-propan-2-ylpiperidine
SMILESCC(CN1CCC(C(C)C)CC1)=C1CNC1
InChIInChI=1S/C14H26N2/c1-11(2)13-4-6-16(7-5-13)10-12(3)14-8-15-9-14/h11,13,15H,4-10H2,1-3H3
InChIKeyPQMQVBWOEIRNJI-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.27
Rot. Bonds3

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

1-[2-(azetidin-3-ylidene)propyl]-4-propan-2-ylpiperidine (PubChem CID 103497512) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-[2-(azetidin-3-ylidene)propyl]-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-[2-(azetidin-3-ylidene)propyl]-4-propan-2-ylpiperidine
PubChem CID103497512
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-[2-(azetidin-3-ylidene)propyl]-4-propan-2-ylpiperidine
SMILESCC(CN1CCC(C(C)C)CC1)=C1CNC1
InChIInChI=1S/C14H26N2/c1-11(2)13-4-6-16(7-5-13)10-12(3)14-8-15-9-14/h11,13,15H,4-10H2,1-3H3
InChIKeyPQMQVBWOEIRNJI-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.27
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-propan-2-ylpiperidine?
The IUPAC name of 1-[2-(azetidin-3-ylidene)propyl]-4-propan-2-ylpiperidine (CID 103497512) is 1-[2-(azetidin-3-ylidene)propyl]-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-[2-(azetidin-3-ylidene)propyl]-4-propan-2-ylpiperidine?
The canonical SMILES for 1-[2-(azetidin-3-ylidene)propyl]-4-propan-2-ylpiperidine is CC(CN1CCC(C(C)C)CC1)=C1CNC1.
What is the InChIKey of 1-[2-(azetidin-3-ylidene)propyl]-4-propan-2-ylpiperidine?
The InChIKey is PQMQVBWOEIRNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-11(2)13-4-6-16(7-5-13)10-12(3)14-8-15-9-14/h11,13,15H,4-10H2,1-3H3.
What are the key properties of 1-[2-(azetidin-3-ylidene)propyl]-4-propan-2-ylpiperidine?
1-[2-(azetidin-3-ylidene)propyl]-4-propan-2-ylpiperidine has a molecular weight of 222.38 g/mol, XLogP of 2.27, 3 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-propan-2-ylpiperidine is sourced from PubChem (CID 103497512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).