1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]piperidin-3-ol

C12H19N3O — CID 83122329

IUPAC1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]piperidin-3-ol
SMILESC[C@H](N)c1ccc(N2CCCC(O)C2)cn1
InChIInChI=1S/C12H19N3O/c1-9(13)12-5-4-10(7-14-12)15-6-2-3-11(16)8-15/h4-5,7,9,11,16H,2-3,6,8,13H2,1H3/t9-,11?/m0/s1
InChIKeyJCKXECMGAYRIKX-FTNKSUMCSA-N
MW221.30 g/mol
LogP1.06
Rot. Bonds2

About 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]piperidin-3-ol

1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]piperidin-3-ol (PubChem CID 83122329) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]piperidin-3-ol
PubChem CID83122329
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]piperidin-3-ol
SMILESC[C@H](N)c1ccc(N2CCCC(O)C2)cn1
InChIInChI=1S/C12H19N3O/c1-9(13)12-5-4-10(7-14-12)15-6-2-3-11(16)8-15/h4-5,7,9,11,16H,2-3,6,8,13H2,1H3/t9-,11?/m0/s1
InChIKeyJCKXECMGAYRIKX-FTNKSUMCSA-N
XLogP1.06
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(1-aminoethyl)-3-pyridinyl]piperidin-4-ol
CID 83122211
(1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine
CID 83123042
1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 83126913
1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 83127877
(1S)-1-[5-(4-methylazepan-1-yl)-2-pyridinyl]ethanamine
CID 83127542
(1R)-1-[5-[3-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]ethanamine
CID 83128116
1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-pyridinyl]ethanamine
CID 83127327
1-[4-(1-aminoethyl)phenyl]piperidin-3-ol
CID 61434763
1-[1-[6-(1-aminoethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol
CID 112626037
1-[5-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 103496947
1-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 83127619
1-[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]ethanamine
CID 83127559

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]piperidin-3-ol?
The IUPAC name of 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]piperidin-3-ol (CID 83122329) is 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]piperidin-3-ol.
What is the SMILES notation for 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]piperidin-3-ol?
The canonical SMILES for 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]piperidin-3-ol is C[C@H](N)c1ccc(N2CCCC(O)C2)cn1.
What is the InChIKey of 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]piperidin-3-ol?
The InChIKey is JCKXECMGAYRIKX-FTNKSUMCSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(13)12-5-4-10(7-14-12)15-6-2-3-11(16)8-15/h4-5,7,9,11,16H,2-3,6,8,13H2,1H3/t9-,11?/m0/s1.
What are the key properties of 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]piperidin-3-ol?
1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]piperidin-3-ol has a molecular weight of 221.30 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]piperidin-3-ol is sourced from PubChem (CID 83122329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).