(3S)-1-[3-[(quinoxalin-2-ylamino)methyl]-2-pyridinyl]piperidin-3-ol

C19H21N5O — CID 95193370

IUPAC(3S)-1-[3-[(quinoxalin-2-ylamino)methyl]-2-pyridinyl]piperidin-3-ol
SMILESO[C@H]1CCCN(c2ncccc2CNc2cnc3ccccc3n2)C1
InChIInChI=1S/C19H21N5O/c25-15-6-4-10-24(13-15)19-14(5-3-9-20-19)11-22-18-12-21-16-7-1-2-8-17(16)23-18/h1-3,5,7-9,12,15,25H,4,6,10-11,13H2,(H,22,23)/t15-/m0/s1
InChIKeyGYDZNHYQBYCFHH-HNNXBMFYSA-N
MW335.41 g/mol
LogP2.60
Rot. Bonds4

About (3S)-1-[3-[(quinoxalin-2-ylamino)methyl]-2-pyridinyl]piperidin-3-ol

(3S)-1-[3-[(quinoxalin-2-ylamino)methyl]-2-pyridinyl]piperidin-3-ol (PubChem CID 95193370) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is (3S)-1-[3-[(quinoxalin-2-ylamino)methyl]-2-pyridinyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[3-[(quinoxalin-2-ylamino)methyl]-2-pyridinyl]piperidin-3-ol
PubChem CID95193370
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name(3S)-1-[3-[(quinoxalin-2-ylamino)methyl]-2-pyridinyl]piperidin-3-ol
SMILESO[C@H]1CCCN(c2ncccc2CNc2cnc3ccccc3n2)C1
InChIInChI=1S/C19H21N5O/c25-15-6-4-10-24(13-15)19-14(5-3-9-20-19)11-22-18-12-21-16-7-1-2-8-17(16)23-18/h1-3,5,7-9,12,15,25H,4,6,10-11,13H2,(H,22,23)/t15-/m0/s1
InChIKeyGYDZNHYQBYCFHH-HNNXBMFYSA-N
XLogP2.60
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-[(quinoxalin-2-ylamino)methyl]-2-pyridinyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[3-[(quinoxalin-2-ylamino)methyl]-2-pyridinyl]piperidin-3-ol (CID 95193370) is (3S)-1-[3-[(quinoxalin-2-ylamino)methyl]-2-pyridinyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[3-[(quinoxalin-2-ylamino)methyl]-2-pyridinyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[3-[(quinoxalin-2-ylamino)methyl]-2-pyridinyl]piperidin-3-ol is O[C@H]1CCCN(c2ncccc2CNc2cnc3ccccc3n2)C1.
What is the InChIKey of (3S)-1-[3-[(quinoxalin-2-ylamino)methyl]-2-pyridinyl]piperidin-3-ol?
The InChIKey is GYDZNHYQBYCFHH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N5O/c25-15-6-4-10-24(13-15)19-14(5-3-9-20-19)11-22-18-12-21-16-7-1-2-8-17(16)23-18/h1-3,5,7-9,12,15,25H,4,6,10-11,13H2,(H,22,23)/t15-/m0/s1.
What are the key properties of (3S)-1-[3-[(quinoxalin-2-ylamino)methyl]-2-pyridinyl]piperidin-3-ol?
(3S)-1-[3-[(quinoxalin-2-ylamino)methyl]-2-pyridinyl]piperidin-3-ol has a molecular weight of 335.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-[(quinoxalin-2-ylamino)methyl]-2-pyridinyl]piperidin-3-ol is sourced from PubChem (CID 95193370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).