5-(4-propan-2-ylpiperidin-1-yl)-1,2-dihydropyridin-2-amine

C13H23N3 — CID 118969980

IUPAC5-(4-propan-2-ylpiperidin-1-yl)-1,2-dihydropyridin-2-amine
SMILESCC(C)C1CCN(C2=CNC(N)C=C2)CC1
InChIInChI=1S/C13H23N3/c1-10(2)11-5-7-16(8-6-11)12-3-4-13(14)15-9-12/h3-4,9-11,13,15H,5-8,14H2,1-2H3
InChIKeyQXIVLGALJBUMSD-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.64
Rot. Bonds2

About 5-(4-propan-2-ylpiperidin-1-yl)-1,2-dihydropyridin-2-amine

5-(4-propan-2-ylpiperidin-1-yl)-1,2-dihydropyridin-2-amine (PubChem CID 118969980) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 5-(4-propan-2-ylpiperidin-1-yl)-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound Name5-(4-propan-2-ylpiperidin-1-yl)-1,2-dihydropyridin-2-amine
PubChem CID118969980
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name5-(4-propan-2-ylpiperidin-1-yl)-1,2-dihydropyridin-2-amine
SMILESCC(C)C1CCN(C2=CNC(N)C=C2)CC1
InChIInChI=1S/C13H23N3/c1-10(2)11-5-7-16(8-6-11)12-3-4-13(14)15-9-12/h3-4,9-11,13,15H,5-8,14H2,1-2H3
InChIKeyQXIVLGALJBUMSD-UHFFFAOYSA-N
XLogP1.64
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-piperidin-4-ylethyl)-6H-pyrrolo[1,2-a]pyrazine
CID 54124043
(1Z,3E)-3-[4-(aminomethyl)piperidin-1-yl]hexa-1,3,5-trien-1-amine
CID 88978669
(1Z,3E)-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]hexa-1,3,5-trien-1-amine
CID 89034875
(3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hepta-1,3,5-trien-3-amine
CID 89153950
2-N'-ethyl-2-N'-(piperidin-4-ylmethyl)-2-N-propan-2-yl-1H-pyridine-2,2-diamine
CID 140397208
1-(piperidin-4-ylmethyl)-2H-pyridine
CID 141002026
1-(2-piperidin-4-ylethyl)-2H-pyridine
CID 141096626
1-(2-methyl-2-piperidin-4-ylpropyl)-2H-pyridine
CID 141096630
(3E)-N-[(1-ethylpiperidin-3-yl)methyl]hexa-1,3,5-trien-3-amine
CID 142124667
(2E,4Z)-N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]hepta-2,4,6-trien-3-amine
CID 142274857
(3Z)-5-(4-methylpiperidin-1-yl)hexa-1,3,5-trien-2-amine
CID 142855721
(2E,4E,6Z)-5-(4-ethylpiperidin-1-yl)octa-2,4,6-trien-1-amine
CID 142858173

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylpiperidin-1-yl)-1,2-dihydropyridin-2-amine?
The IUPAC name of 5-(4-propan-2-ylpiperidin-1-yl)-1,2-dihydropyridin-2-amine (CID 118969980) is 5-(4-propan-2-ylpiperidin-1-yl)-1,2-dihydropyridin-2-amine.
What is the SMILES notation for 5-(4-propan-2-ylpiperidin-1-yl)-1,2-dihydropyridin-2-amine?
The canonical SMILES for 5-(4-propan-2-ylpiperidin-1-yl)-1,2-dihydropyridin-2-amine is CC(C)C1CCN(C2=CNC(N)C=C2)CC1.
What is the InChIKey of 5-(4-propan-2-ylpiperidin-1-yl)-1,2-dihydropyridin-2-amine?
The InChIKey is QXIVLGALJBUMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(2)11-5-7-16(8-6-11)12-3-4-13(14)15-9-12/h3-4,9-11,13,15H,5-8,14H2,1-2H3.
What are the key properties of 5-(4-propan-2-ylpiperidin-1-yl)-1,2-dihydropyridin-2-amine?
5-(4-propan-2-ylpiperidin-1-yl)-1,2-dihydropyridin-2-amine has a molecular weight of 221.35 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylpiperidin-1-yl)-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 118969980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).