1-(azetidin-3-ylmethyl)-2,3,5-trimethylpiperidine

C12H24N2 — CID 114593869

IUPAC1-(azetidin-3-ylmethyl)-2,3,5-trimethylpiperidine
SMILESCC1CC(C)C(C)N(CC2CNC2)C1
InChIInChI=1S/C12H24N2/c1-9-4-10(2)11(3)14(7-9)8-12-5-13-6-12/h9-13H,4-8H2,1-3H3
InChIKeyADZRWMADPRKEEF-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.57
Rot. Bonds2

About 1-(azetidin-3-ylmethyl)-2,3,5-trimethylpiperidine

1-(azetidin-3-ylmethyl)-2,3,5-trimethylpiperidine (PubChem CID 114593869) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethyl)-2,3,5-trimethylpiperidine.

Molecular Properties

Compound Name1-(azetidin-3-ylmethyl)-2,3,5-trimethylpiperidine
PubChem CID114593869
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-(azetidin-3-ylmethyl)-2,3,5-trimethylpiperidine
SMILESCC1CC(C)C(C)N(CC2CNC2)C1
InChIInChI=1S/C12H24N2/c1-9-4-10(2)11(3)14(7-9)8-12-5-13-6-12/h9-13H,4-8H2,1-3H3
InChIKeyADZRWMADPRKEEF-UHFFFAOYSA-N
XLogP1.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethyl)-2,3,5-trimethylpiperidine?
The IUPAC name of 1-(azetidin-3-ylmethyl)-2,3,5-trimethylpiperidine (CID 114593869) is 1-(azetidin-3-ylmethyl)-2,3,5-trimethylpiperidine.
What is the SMILES notation for 1-(azetidin-3-ylmethyl)-2,3,5-trimethylpiperidine?
The canonical SMILES for 1-(azetidin-3-ylmethyl)-2,3,5-trimethylpiperidine is CC1CC(C)C(C)N(CC2CNC2)C1.
What is the InChIKey of 1-(azetidin-3-ylmethyl)-2,3,5-trimethylpiperidine?
The InChIKey is ADZRWMADPRKEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-9-4-10(2)11(3)14(7-9)8-12-5-13-6-12/h9-13H,4-8H2,1-3H3.
What are the key properties of 1-(azetidin-3-ylmethyl)-2,3,5-trimethylpiperidine?
1-(azetidin-3-ylmethyl)-2,3,5-trimethylpiperidine has a molecular weight of 196.34 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylmethyl)-2,3,5-trimethylpiperidine is sourced from PubChem (CID 114593869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).