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

C12H22N2 — CID 130964437

IUPAC3-[(3-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane
SMILESCC1CCCNC1CN1CC2CC2C1
InChIInChI=1S/C12H22N2/c1-9-3-2-4-13-12(9)8-14-6-10-5-11(10)7-14/h9-13H,2-8H2,1H3
InChIKeyWPNNLQBPYNOLAN-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.33
Rot. Bonds2

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

3-[(3-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 130964437) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-[(3-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-[(3-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane
PubChem CID130964437
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3-[(3-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane
SMILESCC1CCCNC1CN1CC2CC2C1
InChIInChI=1S/C12H22N2/c1-9-3-2-4-13-12(9)8-14-6-10-5-11(10)7-14/h9-13H,2-8H2,1H3
InChIKeyWPNNLQBPYNOLAN-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

2-(2,5-dihydropyrrol-1-ylmethyl)-3-methylpiperidine
CID 131096591
2,6-dimethyl-1-[(3-methylpiperidin-2-yl)methyl]piperidine
CID 107068977
1-[(3-methylpiperidin-2-yl)methyl]-3-propoxypiperidine
CID 107069107
2-ethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine
CID 107069481
2,6-dimethyl-4-[(3-methylpyrrolidin-2-yl)methyl]thiomorpholine
CID 102776044
N,N-dimethyl-1-[1-[(3-methylpiperidin-2-yl)methyl]piperidin-4-yl]methanamine
CID 107069105
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-3-methylpiperidine
CID 107069292
4-[(3-methylpiperidin-2-yl)methyl]-1,4-thiazepane 1,1-dioxide
CID 114083506
3-[(3-methylpiperidin-2-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 107069314
2,2-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]morpholine
CID 107069025
3,4-dimethyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione
CID 103500242
(3-methylpiperidin-2-yl)methanol
CID 19898861

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-[(3-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane (CID 130964437) is 3-[(3-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-[(3-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-[(3-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane is CC1CCCNC1CN1CC2CC2C1.
What is the InChIKey of 3-[(3-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is WPNNLQBPYNOLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-9-3-2-4-13-12(9)8-14-6-10-5-11(10)7-14/h9-13H,2-8H2,1H3.
What are the key properties of 3-[(3-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane?
3-[(3-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-[(3-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 130964437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).