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

C13H26N2 — CID 116680106

IUPAC1-[2-(azetidin-3-yl)propyl]-3,3-dimethylpiperidine
SMILESCC(CN1CCCC(C)(C)C1)C1CNC1
InChIInChI=1S/C13H26N2/c1-11(12-7-14-8-12)9-15-6-4-5-13(2,3)10-15/h11-12,14H,4-10H2,1-3H3
InChIKeyDRRJXHDACCMDSW-UHFFFAOYSA-N
MW210.36 g/mol
LogP1.96
Rot. Bonds3

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

1-[2-(azetidin-3-yl)propyl]-3,3-dimethylpiperidine (PubChem CID 116680106) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)propyl]-3,3-dimethylpiperidine.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)propyl]-3,3-dimethylpiperidine
PubChem CID116680106
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-[2-(azetidin-3-yl)propyl]-3,3-dimethylpiperidine
SMILESCC(CN1CCCC(C)(C)C1)C1CNC1
InChIInChI=1S/C13H26N2/c1-11(12-7-14-8-12)9-15-6-4-5-13(2,3)10-15/h11-12,14H,4-10H2,1-3H3
InChIKeyDRRJXHDACCMDSW-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(3,3-dimethylpiperidin-1-yl)propan-2-amine
CID 103934688
1-[2-(azetidin-3-yl)propyl]-3-methylpiperidine
CID 116679193
1-[2-(azetidin-3-yl)propyl]-4-propan-2-ylpiperazine
CID 116679449
1-(3,3-dimethylazepan-1-yl)propan-2-ol
CID 131175747
3-[4-(3,3-dimethylpyrrolidin-1-yl)butan-2-yl]piperidine
CID 81045800
1-cyclohexyl-2-(3,3-dimethylpiperidin-1-yl)-N-ethylethanamine
CID 104746425
1-[2-(azetidin-3-yl)propyl]-3,4-dimethylpiperidine
CID 116680465
1-(2-cyclobutylpropyl)-3-methylpyrrolidin-3-amine
CID 164661007
3-(3,3-dimethylpiperidin-1-yl)-2-(methylamino)propan-1-ol
CID 64789822
1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-one
CID 79395843
1-[2-(azetidin-3-yl)propyl]-2-methylpyrrolidine
CID 116679483
4,4-dimethyl-1-(2-methylpropyl)piperidine;3,3-dimethyl-1-propylpiperidine
CID 177033063

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yl)propyl]-3,3-dimethylpiperidine?
The IUPAC name of 1-[2-(azetidin-3-yl)propyl]-3,3-dimethylpiperidine (CID 116680106) is 1-[2-(azetidin-3-yl)propyl]-3,3-dimethylpiperidine.
What is the SMILES notation for 1-[2-(azetidin-3-yl)propyl]-3,3-dimethylpiperidine?
The canonical SMILES for 1-[2-(azetidin-3-yl)propyl]-3,3-dimethylpiperidine is CC(CN1CCCC(C)(C)C1)C1CNC1.
What is the InChIKey of 1-[2-(azetidin-3-yl)propyl]-3,3-dimethylpiperidine?
The InChIKey is DRRJXHDACCMDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-11(12-7-14-8-12)9-15-6-4-5-13(2,3)10-15/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 1-[2-(azetidin-3-yl)propyl]-3,3-dimethylpiperidine?
1-[2-(azetidin-3-yl)propyl]-3,3-dimethylpiperidine has a molecular weight of 210.36 g/mol, XLogP of 1.96, 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]-3,3-dimethylpiperidine is sourced from PubChem (CID 116680106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).