4-[3-(1-aminoethyl)-1,2-dihydropyridin-6-yl]-1-methylpiperidin-4-ol

C13H23N3O — CID 143709828

IUPAC4-[3-(1-aminoethyl)-1,2-dihydropyridin-6-yl]-1-methylpiperidin-4-ol
SMILESCC(N)C1=CC=C(C2(O)CCN(C)CC2)NC1
InChIInChI=1S/C13H23N3O/c1-10(14)11-3-4-12(15-9-11)13(17)5-7-16(2)8-6-13/h3-4,10,15,17H,5-9,14H2,1-2H3
InChIKeyJJNYGBOAZDHBDF-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.20
Rot. Bonds2

About 4-[3-(1-aminoethyl)-1,2-dihydropyridin-6-yl]-1-methylpiperidin-4-ol

4-[3-(1-aminoethyl)-1,2-dihydropyridin-6-yl]-1-methylpiperidin-4-ol (PubChem CID 143709828) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-[3-(1-aminoethyl)-1,2-dihydropyridin-6-yl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[3-(1-aminoethyl)-1,2-dihydropyridin-6-yl]-1-methylpiperidin-4-ol
PubChem CID143709828
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-[3-(1-aminoethyl)-1,2-dihydropyridin-6-yl]-1-methylpiperidin-4-ol
SMILESCC(N)C1=CC=C(C2(O)CCN(C)CC2)NC1
InChIInChI=1S/C13H23N3O/c1-10(14)11-3-4-12(15-9-11)13(17)5-7-16(2)8-6-13/h3-4,10,15,17H,5-9,14H2,1-2H3
InChIKeyJJNYGBOAZDHBDF-UHFFFAOYSA-N
XLogP0.20
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-Piperidin-1-yl-1,2-dihydroindol-4-ol
CID 67631463
4-(1,2-Dihydropyridin-6-yl)piperidin-4-ol
CID 69090803
4-(1,2-Dihydropyridin-2-yl)piperidin-4-ol
CID 69090804
4-[5-(1-Aminoethyl)-1,2-dihydropyridin-2-yl]-1-methylpiperidin-4-ol
CID 143709591
1-(1,2-Dihydropyridin-6-yl)-1-piperidin-2-ylpropan-1-ol
CID 5251420
6-Amino-2-(ethylamino)-1-methylcyclohexa-2,4-dien-1-ol
CID 70290402

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminoethyl)-1,2-dihydropyridin-6-yl]-1-methylpiperidin-4-ol?
The IUPAC name of 4-[3-(1-aminoethyl)-1,2-dihydropyridin-6-yl]-1-methylpiperidin-4-ol (CID 143709828) is 4-[3-(1-aminoethyl)-1,2-dihydropyridin-6-yl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-[3-(1-aminoethyl)-1,2-dihydropyridin-6-yl]-1-methylpiperidin-4-ol?
The canonical SMILES for 4-[3-(1-aminoethyl)-1,2-dihydropyridin-6-yl]-1-methylpiperidin-4-ol is CC(N)C1=CC=C(C2(O)CCN(C)CC2)NC1.
What is the InChIKey of 4-[3-(1-aminoethyl)-1,2-dihydropyridin-6-yl]-1-methylpiperidin-4-ol?
The InChIKey is JJNYGBOAZDHBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(14)11-3-4-12(15-9-11)13(17)5-7-16(2)8-6-13/h3-4,10,15,17H,5-9,14H2,1-2H3.
What are the key properties of 4-[3-(1-aminoethyl)-1,2-dihydropyridin-6-yl]-1-methylpiperidin-4-ol?
4-[3-(1-aminoethyl)-1,2-dihydropyridin-6-yl]-1-methylpiperidin-4-ol has a molecular weight of 237.35 g/mol, XLogP of 0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-aminoethyl)-1,2-dihydropyridin-6-yl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 143709828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).