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

C11H22N2 — CID 79678705

IUPAC3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine
SMILESCC1(C)CN(CC2CCCNC2)C1
InChIInChI=1S/C11H22N2/c1-11(2)8-13(9-11)7-10-4-3-5-12-6-10/h10,12H,3-9H2,1-2H3
InChIKeyLOVITLAJHCSZOV-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.33
Rot. Bonds2

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

3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine (PubChem CID 79678705) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine
PubChem CID79678705
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine
SMILESCC1(C)CN(CC2CCCNC2)C1
InChIInChI=1S/C11H22N2/c1-11(2)8-13(9-11)7-10-4-3-5-12-6-10/h10,12H,3-9H2,1-2H3
InChIKeyLOVITLAJHCSZOV-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(3-ethyl-3-methylazetidin-1-yl)methyl]piperidine
CID 131186194
3,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 120848754
4-fluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
CID 115028862
3,3-dimethyl-1-(piperidin-3-ylmethyl)piperidin-4-ol
CID 120848601
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 79187862
2-(piperidin-3-ylmethyl)-7-oxa-2-azaspiro[3.5]nonane
CID 79677882
5-[[(3S)-piperidin-3-yl]methyl]-1,2,5-dithiazepane
CID 130659365
(3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine
CID 130630857
3,3-difluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
CID 120849326
[6,6-dimethyl-4-(piperidin-3-ylmethyl)morpholin-2-yl]methanol
CID 114782619
2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol
CID 86323269
3-methyl-1-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120849955

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine?
The IUPAC name of 3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine (CID 79678705) is 3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine.
What is the SMILES notation for 3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine?
The canonical SMILES for 3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine is CC1(C)CN(CC2CCCNC2)C1.
What is the InChIKey of 3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine?
The InChIKey is LOVITLAJHCSZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-11(2)8-13(9-11)7-10-4-3-5-12-6-10/h10,12H,3-9H2,1-2H3.
What are the key properties of 3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine?
3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine has a molecular weight of 182.31 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine is sourced from PubChem (CID 79678705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).