1-[2-(azetidin-3-yl)ethyl]-2,5-dimethylpiperidine

C12H24N2 — CID 116680199

IUPAC1-[2-(azetidin-3-yl)ethyl]-2,5-dimethylpiperidine
SMILESCC1CCC(C)N(CCC2CNC2)C1
InChIInChI=1S/C12H24N2/c1-10-3-4-11(2)14(9-10)6-5-12-7-13-8-12/h10-13H,3-9H2,1-2H3
InChIKeyYLSMCIVLYHZAFR-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.72
Rot. Bonds3

About 1-[2-(azetidin-3-yl)ethyl]-2,5-dimethylpiperidine

1-[2-(azetidin-3-yl)ethyl]-2,5-dimethylpiperidine (PubChem CID 116680199) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)ethyl]-2,5-dimethylpiperidine.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)ethyl]-2,5-dimethylpiperidine
PubChem CID116680199
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-[2-(azetidin-3-yl)ethyl]-2,5-dimethylpiperidine
SMILESCC1CCC(C)N(CCC2CNC2)C1
InChIInChI=1S/C12H24N2/c1-10-3-4-11(2)14(9-10)6-5-12-7-13-8-12/h10-13H,3-9H2,1-2H3
InChIKeyYLSMCIVLYHZAFR-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2R,5R)-2,5-dimethylpiperidin-1-yl]ethanamine
CID 97002391
1-butyl-2,5-dimethylpiperidine
CID 130702123
1-[2-(2,5-dimethylpiperidin-1-yl)ethyl]piperidin-4-amine
CID 79328151
2-[5-(azetidin-3-yl)-2-methylpiperidin-1-yl]ethanol
CID 172596974
3-[2-(2,5-dimethylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole
CID 80577266
4-[2-(azetidin-3-yl)ethyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102884162
1-[2-(azetidin-3-yl)ethyl]-4-methylazepane
CID 116680054
1-butyl-2,6-dimethylazepane
CID 126990044
4-[2-(azetidin-3-yl)ethyl]-5-ethyl-2-methylmorpholine
CID 116679610
2,5-dimethyl-1-[2-(3-methylcyclohexyl)ethyl]piperazine
CID 64936485
2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-5-propylpiperazine
CID 64940682
2,5-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperazine
CID 114516807

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yl)ethyl]-2,5-dimethylpiperidine?
The IUPAC name of 1-[2-(azetidin-3-yl)ethyl]-2,5-dimethylpiperidine (CID 116680199) is 1-[2-(azetidin-3-yl)ethyl]-2,5-dimethylpiperidine.
What is the SMILES notation for 1-[2-(azetidin-3-yl)ethyl]-2,5-dimethylpiperidine?
The canonical SMILES for 1-[2-(azetidin-3-yl)ethyl]-2,5-dimethylpiperidine is CC1CCC(C)N(CCC2CNC2)C1.
What is the InChIKey of 1-[2-(azetidin-3-yl)ethyl]-2,5-dimethylpiperidine?
The InChIKey is YLSMCIVLYHZAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10-3-4-11(2)14(9-10)6-5-12-7-13-8-12/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-[2-(azetidin-3-yl)ethyl]-2,5-dimethylpiperidine?
1-[2-(azetidin-3-yl)ethyl]-2,5-dimethylpiperidine has a molecular weight of 196.34 g/mol, XLogP of 1.72, 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-yl)ethyl]-2,5-dimethylpiperidine is sourced from PubChem (CID 116680199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).