3-[(4-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane

C12H22N2 — CID 131185799

IUPAC3-[(4-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane
SMILESCC1CCNC(CN2CC3CC3C2)C1
InChIInChI=1S/C12H22N2/c1-9-2-3-13-12(4-9)8-14-6-10-5-11(10)7-14/h9-13H,2-8H2,1H3
InChIKeyLCUYPSQPJHQVDQ-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.33
Rot. Bonds2

About 3-[(4-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane

3-[(4-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 131185799) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-[(4-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-[(4-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane
PubChem CID131185799
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3-[(4-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane
SMILESCC1CCNC(CN2CC3CC3C2)C1
InChIInChI=1S/C12H22N2/c1-9-2-3-13-12(4-9)8-14-6-10-5-11(10)7-14/h9-13H,2-8H2,1H3
InChIKeyLCUYPSQPJHQVDQ-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

4-[(4-methylpiperidin-2-yl)methyl]morpholine
CID 114421101
1-[(4-methylpiperidin-2-yl)methyl]-4-methylsulfonylpiperazine
CID 114421488
2-[(3-methoxypyrrolidin-1-yl)methyl]-4-methylpiperidine
CID 103534656
2-methyl-4-[(4-methylpiperidin-2-yl)methyl]thiomorpholine
CID 114421709
2-[(3,3-diethylpyrrolidin-1-yl)methyl]-4-methylpiperidine
CID 114421617
ethane;2-ethyl-4-methylpiperidine
CID 142379207
[(2R,4S)-4-methylpiperidin-2-yl]methanol
CID 68711333
[(2R,4R)-4-methylpiperidin-2-yl]methanol
CID 68714845
3-[(6-methylpiperidin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane
CID 131097789
2-methyl-1-[(4-methylpiperidin-2-yl)methyl]azepane
CID 114421553
3-[(3-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane
CID 130964437
(3aS,6aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142354137

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-[(4-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane (CID 131185799) is 3-[(4-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-[(4-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-[(4-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane is CC1CCNC(CN2CC3CC3C2)C1.
What is the InChIKey of 3-[(4-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is LCUYPSQPJHQVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-9-2-3-13-12(4-9)8-14-6-10-5-11(10)7-14/h9-13H,2-8H2,1H3.
What are the key properties of 3-[(4-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane?
3-[(4-methylpiperidin-2-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-[(4-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 131185799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).