3-[(6-methylpiperidin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane

C12H22N2 — CID 131097789

IUPAC3-[(6-methylpiperidin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane
SMILESCC1CCC(CN2CC3CC3C2)CN1
InChIInChI=1S/C12H22N2/c1-9-2-3-10(5-13-9)6-14-7-11-4-12(11)8-14/h9-13H,2-8H2,1H3
InChIKeyACFMFWFLMUKMIV-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.33
Rot. Bonds2

About 3-[(6-methylpiperidin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane

3-[(6-methylpiperidin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 131097789) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-[(6-methylpiperidin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-[(6-methylpiperidin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane
PubChem CID131097789
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3-[(6-methylpiperidin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane
SMILESCC1CCC(CN2CC3CC3C2)CN1
InChIInChI=1S/C12H22N2/c1-9-2-3-10(5-13-9)6-14-7-11-4-12(11)8-14/h9-13H,2-8H2,1H3
InChIKeyACFMFWFLMUKMIV-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,6aS)-5-[(4-methylcyclohexyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660980
3,6-dimethyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane
CID 63243603
3-[(4-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane
CID 131185799
(5R)-5-ethyl-2-methylpiperidine
CID 89383563
3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane
CID 139380854
[(3R,6S)-6-methylpiperidin-3-yl]methanol
CID 96581848
4-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane
CID 107415125
[(3S,6S)-6-methylpiperidin-3-yl]methanol;hydrochloride
CID 166105009
2-methyl-5-(3-methylbutyl)piperidine
CID 104823506
3-[(6-methylpiperidin-3-yl)methyl]imidazolidine-2,4-dione
CID 107841852
(3S,5S)-1-(cyclopropylmethyl)-3,5-dimethylpiperidine
CID 134195604
3-[(3-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane
CID 130964437

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methylpiperidin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-[(6-methylpiperidin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane (CID 131097789) is 3-[(6-methylpiperidin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-[(6-methylpiperidin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-[(6-methylpiperidin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane is CC1CCC(CN2CC3CC3C2)CN1.
What is the InChIKey of 3-[(6-methylpiperidin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is ACFMFWFLMUKMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-9-2-3-10(5-13-9)6-14-7-11-4-12(11)8-14/h9-13H,2-8H2,1H3.
What are the key properties of 3-[(6-methylpiperidin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane?
3-[(6-methylpiperidin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 194.32 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-[(6-methylpiperidin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 131097789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).