4-[5-(1-aminoethyl)-1,2-dihydropyridin-2-yl]-1-methylpiperidin-4-ol

C13H23N3O — CID 143709591

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

About 4-[5-(1-aminoethyl)-1,2-dihydropyridin-2-yl]-1-methylpiperidin-4-ol

4-[5-(1-aminoethyl)-1,2-dihydropyridin-2-yl]-1-methylpiperidin-4-ol (PubChem CID 143709591) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-[5-(1-aminoethyl)-1,2-dihydropyridin-2-yl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[5-(1-aminoethyl)-1,2-dihydropyridin-2-yl]-1-methylpiperidin-4-ol
PubChem CID143709591
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-[5-(1-aminoethyl)-1,2-dihydropyridin-2-yl]-1-methylpiperidin-4-ol
SMILESCC(N)C1=CNC(C2(O)CCN(C)CC2)C=C1
InChIInChI=1S/C13H23N3O/c1-10(14)11-3-4-12(15-9-11)13(17)5-7-16(2)8-6-13/h3-4,9-10,12,15,17H,5-8,14H2,1-2H3
InChIKeyKMZWGNHPNACECY-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

Analyze 4-[5-(1-aminoethyl)-1,2-dihydropyridin-2-yl]-1-methylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[6-(Trifluoromethyl)-1,2-dihydropyridin-2-yl]piperidin-4-ol
CID 68894269
4-(3-Chloro-1,2-dihydropyridin-2-yl)piperidin-4-ol;hydrochloride
CID 67466094
4-(1,2-Dihydropyridin-2-yl)-4-hydroxypiperidine-1-carboxylic acid
CID 68445363
4-(1,2-Dihydropyridin-6-yl)piperidin-4-ol
CID 69090803
4-(1,2-Dihydropyridin-2-yl)piperidin-4-ol
CID 69090804
4-[3-(1-Aminoethyl)-1,2-dihydropyridin-6-yl]-1-methylpiperidin-4-ol
CID 143709828
4-(Aminomethyl)-1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-ol
CID 145044472
1-[3-[[(3E,5Z)-6-(buta-1,3-dien-2-ylamino)-3-prop-1-en-2-ylhexa-3,5-dien-2-yl]amino]-1,2-dihydropyridin-2-yl]ethenol;ethane;4-fluoro-4-methylpiperidine
CID 168203348
4-(3-Chloro-1,2-dihydropyridin-2-yl)piperidin-4-ol
CID 67466095
4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]piperidin-4-ol
CID 114460113
4-(2,5-dihydro-1H-pyrrol-2-yl)-1-methylpiperidin-4-ol
CID 130510171
4-(2,5-dihydro-1H-pyrrol-2-yl)-1-ethylpiperidin-4-ol
CID 130510173

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-aminoethyl)-1,2-dihydropyridin-2-yl]-1-methylpiperidin-4-ol?
The IUPAC name of 4-[5-(1-aminoethyl)-1,2-dihydropyridin-2-yl]-1-methylpiperidin-4-ol (CID 143709591) is 4-[5-(1-aminoethyl)-1,2-dihydropyridin-2-yl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-[5-(1-aminoethyl)-1,2-dihydropyridin-2-yl]-1-methylpiperidin-4-ol?
The canonical SMILES for 4-[5-(1-aminoethyl)-1,2-dihydropyridin-2-yl]-1-methylpiperidin-4-ol is CC(N)C1=CNC(C2(O)CCN(C)CC2)C=C1.
What is the InChIKey of 4-[5-(1-aminoethyl)-1,2-dihydropyridin-2-yl]-1-methylpiperidin-4-ol?
The InChIKey is KMZWGNHPNACECY-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/h3-4,9-10,12,15,17H,5-8,14H2,1-2H3.
What are the key properties of 4-[5-(1-aminoethyl)-1,2-dihydropyridin-2-yl]-1-methylpiperidin-4-ol?
4-[5-(1-aminoethyl)-1,2-dihydropyridin-2-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-[5-(1-aminoethyl)-1,2-dihydropyridin-2-yl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 143709591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).