(3-piperidin-1-yl-1-azabicyclo[2.2.2]octan-3-yl)methanamine

C13H25N3 — CID 43121748

IUPAC(3-piperidin-1-yl-1-azabicyclo[2.2.2]octan-3-yl)methanamine
SMILESNCC1(N2CCCCC2)CN2CCC1CC2
InChIInChI=1S/C13H25N3/c14-10-13(16-6-2-1-3-7-16)11-15-8-4-12(13)5-9-15/h12H,1-11,14H2
InChIKeyRTLHAVZUNZYLLR-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.90
Rot. Bonds2

About (3-piperidin-1-yl-1-azabicyclo[2.2.2]octan-3-yl)methanamine

(3-piperidin-1-yl-1-azabicyclo[2.2.2]octan-3-yl)methanamine (PubChem CID 43121748) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is (3-piperidin-1-yl-1-azabicyclo[2.2.2]octan-3-yl)methanamine.

Molecular Properties

Compound Name(3-piperidin-1-yl-1-azabicyclo[2.2.2]octan-3-yl)methanamine
PubChem CID43121748
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name(3-piperidin-1-yl-1-azabicyclo[2.2.2]octan-3-yl)methanamine
SMILESNCC1(N2CCCCC2)CN2CCC1CC2
InChIInChI=1S/C13H25N3/c14-10-13(16-6-2-1-3-7-16)11-15-8-4-12(13)5-9-15/h12H,1-11,14H2
InChIKeyRTLHAVZUNZYLLR-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-piperidin-1-yl-1-azabicyclo[2.2.2]octan-3-yl)methanamine?
The IUPAC name of (3-piperidin-1-yl-1-azabicyclo[2.2.2]octan-3-yl)methanamine (CID 43121748) is (3-piperidin-1-yl-1-azabicyclo[2.2.2]octan-3-yl)methanamine.
What is the SMILES notation for (3-piperidin-1-yl-1-azabicyclo[2.2.2]octan-3-yl)methanamine?
The canonical SMILES for (3-piperidin-1-yl-1-azabicyclo[2.2.2]octan-3-yl)methanamine is NCC1(N2CCCCC2)CN2CCC1CC2.
What is the InChIKey of (3-piperidin-1-yl-1-azabicyclo[2.2.2]octan-3-yl)methanamine?
The InChIKey is RTLHAVZUNZYLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c14-10-13(16-6-2-1-3-7-16)11-15-8-4-12(13)5-9-15/h12H,1-11,14H2.
What are the key properties of (3-piperidin-1-yl-1-azabicyclo[2.2.2]octan-3-yl)methanamine?
(3-piperidin-1-yl-1-azabicyclo[2.2.2]octan-3-yl)methanamine has a molecular weight of 223.36 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-piperidin-1-yl-1-azabicyclo[2.2.2]octan-3-yl)methanamine is sourced from PubChem (CID 43121748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).