1-[4-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol

C13H21N3O — CID 104876717

IUPAC1-[4-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol
SMILESC[C@@H](N)c1ccnc(N2CCCC(C)(O)C2)c1
InChIInChI=1S/C13H21N3O/c1-10(14)11-4-6-15-12(8-11)16-7-3-5-13(2,17)9-16/h4,6,8,10,17H,3,5,7,9,14H2,1-2H3/t10-,13?/m1/s1
InChIKeyABMWVZJRKNKCHB-VUUHIHSGSA-N
MW235.33 g/mol
LogP1.45
Rot. Bonds2

About 1-[4-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol

1-[4-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol (PubChem CID 104876717) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[4-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[4-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol
PubChem CID104876717
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[4-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol
SMILESC[C@@H](N)c1ccnc(N2CCCC(C)(O)C2)c1
InChIInChI=1S/C13H21N3O/c1-10(14)11-4-6-15-12(8-11)16-7-3-5-13(2,17)9-16/h4,6,8,10,17H,3,5,7,9,14H2,1-2H3/t10-,13?/m1/s1
InChIKeyABMWVZJRKNKCHB-VUUHIHSGSA-N
XLogP1.45
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(1S)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol
CID 104876735
1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol
CID 104876737
1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]-3-methylpiperidin-3-ol
CID 104876734
(1R)-1-[2-(2,2,6,6-tetramethylmorpholin-4-yl)-4-pyridinyl]ethanamine
CID 102744222
1-[4-[(1S)-1-hydroxyethyl]-2-pyridinyl]-4-methylpiperidin-4-ol
CID 81103809
(1S)-1-[2-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]ethanol
CID 107393526
methyl 2-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylate
CID 114075096
1-(6-ethylpyrimidin-4-yl)-3-methylpiperidin-3-ol
CID 115871308
1-[2-(4-methylsulfanylazepan-1-yl)-4-pyridinyl]ethanamine
CID 114237251
1-[4-[(1S)-1-aminoethyl]phenyl]-3-methylpyrrolidin-3-ol
CID 103356537
3-methyl-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 103725176
2-[1-[4-(1-aminoethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107227792

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol?
The IUPAC name of 1-[4-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol (CID 104876717) is 1-[4-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-[4-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol?
The canonical SMILES for 1-[4-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol is C[C@@H](N)c1ccnc(N2CCCC(C)(O)C2)c1.
What is the InChIKey of 1-[4-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol?
The InChIKey is ABMWVZJRKNKCHB-VUUHIHSGSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(14)11-4-6-15-12(8-11)16-7-3-5-13(2,17)9-16/h4,6,8,10,17H,3,5,7,9,14H2,1-2H3/t10-,13?/m1/s1.
What are the key properties of 1-[4-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol?
1-[4-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol has a molecular weight of 235.33 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol is sourced from PubChem (CID 104876717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).