3-(2-methylpiperidin-3-yl)-3-azabicyclo[4.1.0]heptane

C12H22N2 — CID 164651866

IUPAC3-(2-methylpiperidin-3-yl)-3-azabicyclo[4.1.0]heptane
SMILESCC1NCCCC1N1CCC2CC2C1
InChIInChI=1S/C12H22N2/c1-9-12(3-2-5-13-9)14-6-4-10-7-11(10)8-14/h9-13H,2-8H2,1H3
InChIKeyHDXOCFCQIVYDGP-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.47
Rot. Bonds1

About 3-(2-methylpiperidin-3-yl)-3-azabicyclo[4.1.0]heptane

3-(2-methylpiperidin-3-yl)-3-azabicyclo[4.1.0]heptane (PubChem CID 164651866) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-(2-methylpiperidin-3-yl)-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-(2-methylpiperidin-3-yl)-3-azabicyclo[4.1.0]heptane
PubChem CID164651866
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3-(2-methylpiperidin-3-yl)-3-azabicyclo[4.1.0]heptane
SMILESCC1NCCCC1N1CCC2CC2C1
InChIInChI=1S/C12H22N2/c1-9-12(3-2-5-13-9)14-6-4-10-7-11(10)8-14/h9-13H,2-8H2,1H3
InChIKeyHDXOCFCQIVYDGP-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 44827712
1-[(2R,3S)-2-methylpyrrolidin-3-yl]piperidine
CID 129321005
(1S,2R,7S,9R,10S)-6,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 163133323
6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678711
3-(2-methylpiperidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 114695749
1-(2,3-dimethylcyclohexyl)-4-pyrrolidin-2-ylpiperidine
CID 64755585
6-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678482
(1S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 131705291
(1R,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 6101950
3-(2,5-dimethylpyrrol-1-yl)-2-methylpiperidine
CID 114695724
5-methyl-2-(1-piperidin-3-ylpiperidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 166934569
6-(5-methyl-2-propan-2-ylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678237

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-3-yl)-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 3-(2-methylpiperidin-3-yl)-3-azabicyclo[4.1.0]heptane (CID 164651866) is 3-(2-methylpiperidin-3-yl)-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-(2-methylpiperidin-3-yl)-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 3-(2-methylpiperidin-3-yl)-3-azabicyclo[4.1.0]heptane is CC1NCCCC1N1CCC2CC2C1.
What is the InChIKey of 3-(2-methylpiperidin-3-yl)-3-azabicyclo[4.1.0]heptane?
The InChIKey is HDXOCFCQIVYDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-9-12(3-2-5-13-9)14-6-4-10-7-11(10)8-14/h9-13H,2-8H2,1H3.
What are the key properties of 3-(2-methylpiperidin-3-yl)-3-azabicyclo[4.1.0]heptane?
3-(2-methylpiperidin-3-yl)-3-azabicyclo[4.1.0]heptane has a molecular weight of 194.32 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-3-yl)-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 164651866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).