1-[2-(azetidin-3-yl)propyl]-3,4-dimethylpiperidine

C13H26N2 — CID 116680465

IUPAC1-[2-(azetidin-3-yl)propyl]-3,4-dimethylpiperidine
SMILESCC1CCN(CC(C)C2CNC2)CC1C
InChIInChI=1S/C13H26N2/c1-10-4-5-15(8-11(10)2)9-12(3)13-6-14-7-13/h10-14H,4-9H2,1-3H3
InChIKeyRFLNDWKVEDWQOV-UHFFFAOYSA-N
MW210.36 g/mol
LogP1.82
Rot. Bonds3

About 1-[2-(azetidin-3-yl)propyl]-3,4-dimethylpiperidine

1-[2-(azetidin-3-yl)propyl]-3,4-dimethylpiperidine (PubChem CID 116680465) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)propyl]-3,4-dimethylpiperidine.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)propyl]-3,4-dimethylpiperidine
PubChem CID116680465
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-[2-(azetidin-3-yl)propyl]-3,4-dimethylpiperidine
SMILESCC1CCN(CC(C)C2CNC2)CC1C
InChIInChI=1S/C13H26N2/c1-10-4-5-15(8-11(10)2)9-12(3)13-6-14-7-13/h10-14H,4-9H2,1-3H3
InChIKeyRFLNDWKVEDWQOV-UHFFFAOYSA-N
XLogP1.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-3,4-dimethyl-1-[2-[(3S,4R)-4-methylpiperidin-3-yl]propyl]piperidine
CID 167163055
1-[2-(azetidin-3-yl)propyl]-3-methylpiperidine
CID 116679193
1-[2-(azetidin-3-yl)propyl]-4-propan-2-ylpiperazine
CID 116679449
1-[2-(azetidin-3-yl)propyl]-2-methylpyrrolidine
CID 116679483
1-(2-cyclopropylpropyl)-6-ethyl-3-methyl-1,5-diazocane
CID 113476176
1-[2-(azetidin-3-yl)propyl]-3,3-dimethylpiperidine
CID 116680106
1-[3-[1-[3-(azetidin-3-yl)butyl]piperidin-4-yl]butyl]-4-propan-2-ylpiperazine
CID 139425550
1-(2-cycloheptylpropyl)piperazine
CID 82509737
1-[2-(azetidin-3-yl)propyl]-5-fluoro-3,6-dihydro-2H-pyridine
CID 131052436
1-[2-(azetidin-3-yl)propyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 116680176
1-[2-(azetidin-3-yl)propyl]-2-ethylpyrrolidine
CID 116679486
3-bromo-1-(2-cyclobutylpropyl)pyrrolidine
CID 130804419

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yl)propyl]-3,4-dimethylpiperidine?
The IUPAC name of 1-[2-(azetidin-3-yl)propyl]-3,4-dimethylpiperidine (CID 116680465) is 1-[2-(azetidin-3-yl)propyl]-3,4-dimethylpiperidine.
What is the SMILES notation for 1-[2-(azetidin-3-yl)propyl]-3,4-dimethylpiperidine?
The canonical SMILES for 1-[2-(azetidin-3-yl)propyl]-3,4-dimethylpiperidine is CC1CCN(CC(C)C2CNC2)CC1C.
What is the InChIKey of 1-[2-(azetidin-3-yl)propyl]-3,4-dimethylpiperidine?
The InChIKey is RFLNDWKVEDWQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10-4-5-15(8-11(10)2)9-12(3)13-6-14-7-13/h10-14H,4-9H2,1-3H3.
What are the key properties of 1-[2-(azetidin-3-yl)propyl]-3,4-dimethylpiperidine?
1-[2-(azetidin-3-yl)propyl]-3,4-dimethylpiperidine has a molecular weight of 210.36 g/mol, XLogP of 1.82, 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)propyl]-3,4-dimethylpiperidine is sourced from PubChem (CID 116680465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).