7-(1-methylpiperidin-4-yl)-7-azabicyclo[2.2.1]heptane

C12H22N2 — CID 23395569

IUPAC7-(1-methylpiperidin-4-yl)-7-azabicyclo[2.2.1]heptane
SMILESCN1CCC(N2C3CCC2CC3)CC1
InChIInChI=1S/C12H22N2/c1-13-8-6-12(7-9-13)14-10-2-3-11(14)5-4-10/h10-12H,2-9H2,1H3
InChIKeyFQLXYYKADJSCTO-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.71
Rot. Bonds1

About 7-(1-methylpiperidin-4-yl)-7-azabicyclo[2.2.1]heptane

7-(1-methylpiperidin-4-yl)-7-azabicyclo[2.2.1]heptane (PubChem CID 23395569) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 7-(1-methylpiperidin-4-yl)-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-(1-methylpiperidin-4-yl)-7-azabicyclo[2.2.1]heptane
PubChem CID23395569
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name7-(1-methylpiperidin-4-yl)-7-azabicyclo[2.2.1]heptane
SMILESCN1CCC(N2C3CCC2CC3)CC1
InChIInChI=1S/C12H22N2/c1-13-8-6-12(7-9-13)14-10-2-3-11(14)5-4-10/h10-12H,2-9H2,1H3
InChIKeyFQLXYYKADJSCTO-UHFFFAOYSA-N
XLogP1.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpiperidin-4-yl)-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 7-(1-methylpiperidin-4-yl)-7-azabicyclo[2.2.1]heptane (CID 23395569) is 7-(1-methylpiperidin-4-yl)-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-(1-methylpiperidin-4-yl)-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 7-(1-methylpiperidin-4-yl)-7-azabicyclo[2.2.1]heptane is CN1CCC(N2C3CCC2CC3)CC1.
What is the InChIKey of 7-(1-methylpiperidin-4-yl)-7-azabicyclo[2.2.1]heptane?
The InChIKey is FQLXYYKADJSCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-13-8-6-12(7-9-13)14-10-2-3-11(14)5-4-10/h10-12H,2-9H2,1H3.
What are the key properties of 7-(1-methylpiperidin-4-yl)-7-azabicyclo[2.2.1]heptane?
7-(1-methylpiperidin-4-yl)-7-azabicyclo[2.2.1]heptane has a molecular weight of 194.32 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpiperidin-4-yl)-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 23395569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).