4-[3-(azetidin-3-yl)phenyl]-1-methylpiperidine

C15H22N2 — CID 116988876

IUPAC4-[3-(azetidin-3-yl)phenyl]-1-methylpiperidine
SMILESCN1CCC(c2cccc(C3CNC3)c2)CC1
InChIInChI=1S/C15H22N2/c1-17-7-5-12(6-8-17)13-3-2-4-14(9-13)15-10-16-11-15/h2-4,9,12,15-16H,5-8,10-11H2,1H3
InChIKeyFRCLABNVIFICCA-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.18
Rot. Bonds2

About 4-[3-(azetidin-3-yl)phenyl]-1-methylpiperidine

4-[3-(azetidin-3-yl)phenyl]-1-methylpiperidine (PubChem CID 116988876) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 4-[3-(azetidin-3-yl)phenyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[3-(azetidin-3-yl)phenyl]-1-methylpiperidine
PubChem CID116988876
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name4-[3-(azetidin-3-yl)phenyl]-1-methylpiperidine
SMILESCN1CCC(c2cccc(C3CNC3)c2)CC1
InChIInChI=1S/C15H22N2/c1-17-7-5-12(6-8-17)13-3-2-4-14(9-13)15-10-16-11-15/h2-4,9,12,15-16H,5-8,10-11H2,1H3
InChIKeyFRCLABNVIFICCA-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(azetidin-3-yl)phenyl]-1-methylpiperidine?
The IUPAC name of 4-[3-(azetidin-3-yl)phenyl]-1-methylpiperidine (CID 116988876) is 4-[3-(azetidin-3-yl)phenyl]-1-methylpiperidine.
What is the SMILES notation for 4-[3-(azetidin-3-yl)phenyl]-1-methylpiperidine?
The canonical SMILES for 4-[3-(azetidin-3-yl)phenyl]-1-methylpiperidine is CN1CCC(c2cccc(C3CNC3)c2)CC1.
What is the InChIKey of 4-[3-(azetidin-3-yl)phenyl]-1-methylpiperidine?
The InChIKey is FRCLABNVIFICCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-17-7-5-12(6-8-17)13-3-2-4-14(9-13)15-10-16-11-15/h2-4,9,12,15-16H,5-8,10-11H2,1H3.
What are the key properties of 4-[3-(azetidin-3-yl)phenyl]-1-methylpiperidine?
4-[3-(azetidin-3-yl)phenyl]-1-methylpiperidine has a molecular weight of 230.36 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(azetidin-3-yl)phenyl]-1-methylpiperidine is sourced from PubChem (CID 116988876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).