[1-(3-amino-4-pyridinyl)-4-methylpiperidin-4-yl]azanium

C11H19N4+ — CID 147121078

IUPAC[1-(3-amino-4-pyridinyl)-4-methylpiperidin-4-yl]azanium
SMILESCC1([NH3+])CCN(c2ccncc2N)CC1
InChIInChI=1S/C11H18N4/c1-11(13)3-6-15(7-4-11)10-2-5-14-8-9(10)12/h2,5,8H,3-4,6-7,12-13H2,1H3/p+1
InChIKeyBOJCUPCGWUEADC-UHFFFAOYSA-O
MW207.30 g/mol
LogP0.26
Rot. Bonds1

About [1-(3-amino-4-pyridinyl)-4-methylpiperidin-4-yl]azanium

[1-(3-amino-4-pyridinyl)-4-methylpiperidin-4-yl]azanium (PubChem CID 147121078) has the molecular formula C11H19N4+ and a molecular weight of 207.30 g/mol. Its IUPAC name is [1-(3-amino-4-pyridinyl)-4-methylpiperidin-4-yl]azanium.

Molecular Properties

Compound Name[1-(3-amino-4-pyridinyl)-4-methylpiperidin-4-yl]azanium
PubChem CID147121078
Molecular FormulaC11H19N4+
Molecular Weight207.30 g/mol
Exact Mass207.16
IUPAC Name[1-(3-amino-4-pyridinyl)-4-methylpiperidin-4-yl]azanium
SMILESCC1([NH3+])CCN(c2ccncc2N)CC1
InChIInChI=1S/C11H18N4/c1-11(13)3-6-15(7-4-11)10-2-5-14-8-9(10)12/h2,5,8H,3-4,6-7,12-13H2,1H3/p+1
InChIKeyBOJCUPCGWUEADC-UHFFFAOYSA-O
XLogP0.26
TPSA69.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-4-pyridinyl)-4-methylpiperidin-4-yl]azanium?
The IUPAC name of [1-(3-amino-4-pyridinyl)-4-methylpiperidin-4-yl]azanium (CID 147121078) is [1-(3-amino-4-pyridinyl)-4-methylpiperidin-4-yl]azanium.
What is the SMILES notation for [1-(3-amino-4-pyridinyl)-4-methylpiperidin-4-yl]azanium?
The canonical SMILES for [1-(3-amino-4-pyridinyl)-4-methylpiperidin-4-yl]azanium is CC1([NH3+])CCN(c2ccncc2N)CC1.
What is the InChIKey of [1-(3-amino-4-pyridinyl)-4-methylpiperidin-4-yl]azanium?
The InChIKey is BOJCUPCGWUEADC-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H18N4/c1-11(13)3-6-15(7-4-11)10-2-5-14-8-9(10)12/h2,5,8H,3-4,6-7,12-13H2,1H3/p+1.
What are the key properties of [1-(3-amino-4-pyridinyl)-4-methylpiperidin-4-yl]azanium?
[1-(3-amino-4-pyridinyl)-4-methylpiperidin-4-yl]azanium has a molecular weight of 207.30 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-4-pyridinyl)-4-methylpiperidin-4-yl]azanium is sourced from PubChem (CID 147121078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).