2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine

C13H25N3 — CID 19108416

IUPAC2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESNC1C2CCN(CC2)C1CN1CCCCC1
InChIInChI=1S/C13H25N3/c14-13-11-4-8-16(9-5-11)12(13)10-15-6-2-1-3-7-15/h11-13H,1-10,14H2
InChIKeyMRZVJQABBDITJH-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.89
Rot. Bonds2

About 2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine

2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 19108416) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID19108416
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESNC1C2CCN(CC2)C1CN1CCCCC1
InChIInChI=1S/C13H25N3/c14-13-11-4-8-16(9-5-11)12(13)10-15-6-2-1-3-7-15/h11-13H,1-10,14H2
InChIKeyMRZVJQABBDITJH-UHFFFAOYSA-N
XLogP0.89
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of 2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 19108416) is 2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for 2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine is NC1C2CCN(CC2)C1CN1CCCCC1.
What is the InChIKey of 2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is MRZVJQABBDITJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c14-13-11-4-8-16(9-5-11)12(13)10-15-6-2-1-3-7-15/h11-13H,1-10,14H2.
What are the key properties of 2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 223.36 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 19108416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).