3-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane

C11H20N2 — CID 118303308

IUPAC3-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane
SMILESCN1CCC(N2CC3CC3C2)CC1
InChIInChI=1S/C11H20N2/c1-12-4-2-11(3-5-12)13-7-9-6-10(9)8-13/h9-11H,2-8H2,1H3
InChIKeyJHIYLIKVWOYVCH-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.03
Rot. Bonds1

About 3-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane

3-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane (PubChem CID 118303308) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane
PubChem CID118303308
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane
SMILESCN1CCC(N2CC3CC3C2)CC1
InChIInChI=1S/C11H20N2/c1-12-4-2-11(3-5-12)13-7-9-6-10(9)8-13/h9-11H,2-8H2,1H3
InChIKeyJHIYLIKVWOYVCH-UHFFFAOYSA-N
XLogP1.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane (CID 118303308) is 3-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane is CN1CCC(N2CC3CC3C2)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is JHIYLIKVWOYVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-12-4-2-11(3-5-12)13-7-9-6-10(9)8-13/h9-11H,2-8H2,1H3.
What are the key properties of 3-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane?
3-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 180.29 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 118303308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).