1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol

C13H21N3O — CID 104876737

IUPAC1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol
SMILESC[C@@H](N)c1ccc(N2CCCC(C)(O)C2)nc1
InChIInChI=1S/C13H21N3O/c1-10(14)11-4-5-12(15-8-11)16-7-3-6-13(2,17)9-16/h4-5,8,10,17H,3,6-7,9,14H2,1-2H3/t10-,13?/m1/s1
InChIKeyUUAONSSFNKXADW-VUUHIHSGSA-N
MW235.33 g/mol
LogP1.45
Rot. Bonds2

About 1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol

1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol (PubChem CID 104876737) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol
PubChem CID104876737
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol
SMILESC[C@@H](N)c1ccc(N2CCCC(C)(O)C2)nc1
InChIInChI=1S/C13H21N3O/c1-10(14)11-4-5-12(15-8-11)16-7-3-6-13(2,17)9-16/h4-5,8,10,17H,3,6-7,9,14H2,1-2H3/t10-,13?/m1/s1
InChIKeyUUAONSSFNKXADW-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-[4-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol
CID 104876717
(1S)-1-[6-(azetidin-1-yl)-3-pyridinyl]ethanamine
CID 130547362
(1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine
CID 79022376
1-(5-chloro-2-pyridinyl)-3-methylpiperidin-3-ol
CID 115871312
3-methyl-1-(5-propan-2-yl-2-pyridinyl)azetidin-3-ol
CID 176651247
1-[6-(2,2,6,6-tetramethylmorpholin-4-yl)-3-pyridinyl]ethanamine
CID 102744252
1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]-3-methylpiperidin-3-ol
CID 104876734
1-[6-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]ethanol
CID 107393565
1-[4-[(1S)-1-aminoethyl]phenyl]-3-methylpyrrolidin-3-ol
CID 103356537
1-(5-aminopyrazin-2-yl)-3-methylpyrrolidin-3-ol
CID 103358812
6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 103356410

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol?
The IUPAC name of 1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol (CID 104876737) is 1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol?
The canonical SMILES for 1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol is C[C@@H](N)c1ccc(N2CCCC(C)(O)C2)nc1.
What is the InChIKey of 1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol?
The InChIKey is UUAONSSFNKXADW-VUUHIHSGSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(14)11-4-5-12(15-8-11)16-7-3-6-13(2,17)9-16/h4-5,8,10,17H,3,6-7,9,14H2,1-2H3/t10-,13?/m1/s1.
What are the key properties of 1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol?
1-[5-[(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-[5-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol is sourced from PubChem (CID 104876737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).