1-[(1,3-dimethylazetidin-3-yl)methyl]piperidine

C11H22N2 — CID 166536995

IUPAC1-[(1,3-dimethylazetidin-3-yl)methyl]piperidine
SMILESCN1CC(C)(CN2CCCCC2)C1
InChIInChI=1S/C11H22N2/c1-11(8-12(2)9-11)10-13-6-4-3-5-7-13/h3-10H2,1-2H3
InChIKeyJHCAJIIVQPIUIT-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.42
Rot. Bonds2

About 1-[(1,3-dimethylazetidin-3-yl)methyl]piperidine

1-[(1,3-dimethylazetidin-3-yl)methyl]piperidine (PubChem CID 166536995) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-[(1,3-dimethylazetidin-3-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(1,3-dimethylazetidin-3-yl)methyl]piperidine
PubChem CID166536995
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-[(1,3-dimethylazetidin-3-yl)methyl]piperidine
SMILESCN1CC(C)(CN2CCCCC2)C1
InChIInChI=1S/C11H22N2/c1-11(8-12(2)9-11)10-13-6-4-3-5-7-13/h3-10H2,1-2H3
InChIKeyJHCAJIIVQPIUIT-UHFFFAOYSA-N
XLogP1.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-chlorocyclohexyl)methyl]pyrrolidine
CID 121219276
1-[(1,4-dimethylpiperidin-4-yl)methyl]-1,4-diazepane
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1-methyl-4-[(3-methylpiperidin-3-yl)methyl]-1,4-diazepane
CID 63133054
3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol
CID 84731876
1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperazine
CID 156559157
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 54547768
1-methylpiperidine
CID 160757527
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
1-methylpiperidine
CID 90254979
1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine
CID 28745435
1-(1,3-dimethylazepan-3-yl)-N-methylmethanamine;ethane
CID 168995514
1-ethylpiperidine
CID 13007

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylazetidin-3-yl)methyl]piperidine?
The IUPAC name of 1-[(1,3-dimethylazetidin-3-yl)methyl]piperidine (CID 166536995) is 1-[(1,3-dimethylazetidin-3-yl)methyl]piperidine.
What is the SMILES notation for 1-[(1,3-dimethylazetidin-3-yl)methyl]piperidine?
The canonical SMILES for 1-[(1,3-dimethylazetidin-3-yl)methyl]piperidine is CN1CC(C)(CN2CCCCC2)C1.
What is the InChIKey of 1-[(1,3-dimethylazetidin-3-yl)methyl]piperidine?
The InChIKey is JHCAJIIVQPIUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-11(8-12(2)9-11)10-13-6-4-3-5-7-13/h3-10H2,1-2H3.
What are the key properties of 1-[(1,3-dimethylazetidin-3-yl)methyl]piperidine?
1-[(1,3-dimethylazetidin-3-yl)methyl]piperidine has a molecular weight of 182.31 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylazetidin-3-yl)methyl]piperidine is sourced from PubChem (CID 166536995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).