7-piperidin-3-yl-7-azabicyclo[2.2.1]heptane

C11H20N2 — CID 130915029

IUPAC7-piperidin-3-yl-7-azabicyclo[2.2.1]heptane
SMILESC1CNCC(N2C3CCC2CC3)C1
InChIInChI=1S/C11H20N2/c1-2-11(8-12-7-1)13-9-3-4-10(13)6-5-9/h9-12H,1-8H2
InChIKeyKLFAHEVYICWAGC-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.37
Rot. Bonds1

About 7-piperidin-3-yl-7-azabicyclo[2.2.1]heptane

7-piperidin-3-yl-7-azabicyclo[2.2.1]heptane (PubChem CID 130915029) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 7-piperidin-3-yl-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-piperidin-3-yl-7-azabicyclo[2.2.1]heptane
PubChem CID130915029
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name7-piperidin-3-yl-7-azabicyclo[2.2.1]heptane
SMILESC1CNCC(N2C3CCC2CC3)C1
InChIInChI=1S/C11H20N2/c1-2-11(8-12-7-1)13-9-3-4-10(13)6-5-9/h9-12H,1-8H2
InChIKeyKLFAHEVYICWAGC-UHFFFAOYSA-N
XLogP1.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-fluoro-1-piperidin-3-ylpiperidine
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1-cyclopropyl-3-piperidin-3-ylimidazolidin-2-one;hydrochloride
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2-piperidin-3-yl-2-azaspiro[3.3]heptane
CID 79677674
(3aS,6aR)-5-piperidin-3-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
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1-piperidin-3-ylpiperidin-4-amine
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2-cyclopropyl-1-piperidin-3-ylpyrazolidin-3-one
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CID 103533918

Frequently Asked Questions

What is the IUPAC name of 7-piperidin-3-yl-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 7-piperidin-3-yl-7-azabicyclo[2.2.1]heptane (CID 130915029) is 7-piperidin-3-yl-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-piperidin-3-yl-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 7-piperidin-3-yl-7-azabicyclo[2.2.1]heptane is C1CNCC(N2C3CCC2CC3)C1.
What is the InChIKey of 7-piperidin-3-yl-7-azabicyclo[2.2.1]heptane?
The InChIKey is KLFAHEVYICWAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-11(8-12-7-1)13-9-3-4-10(13)6-5-9/h9-12H,1-8H2.
What are the key properties of 7-piperidin-3-yl-7-azabicyclo[2.2.1]heptane?
7-piperidin-3-yl-7-azabicyclo[2.2.1]heptane has a molecular weight of 180.29 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-3-yl-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 130915029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).