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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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).