[(2R)-1-[2-(quinoxalin-2-ylamino)ethyl]piperidin-2-yl]methanol

C16H22N4O — CID 171359818

IUPAC[(2R)-1-[2-(quinoxalin-2-ylamino)ethyl]piperidin-2-yl]methanol
SMILESOC[C@H]1CCCCN1CCNc1cnc2ccccc2n1
InChIInChI=1S/C16H22N4O/c21-12-13-5-3-4-9-20(13)10-8-17-16-11-18-14-6-1-2-7-15(14)19-16/h1-2,6-7,11,13,21H,3-5,8-10,12H2,(H,17,19)/t13-/m1/s1
InChIKeyAUHNLXVDVRTCPY-CYBMUJFWSA-N
MW286.38 g/mol
LogP1.89
Rot. Bonds5

About [(2R)-1-[2-(quinoxalin-2-ylamino)ethyl]piperidin-2-yl]methanol

[(2R)-1-[2-(quinoxalin-2-ylamino)ethyl]piperidin-2-yl]methanol (PubChem CID 171359818) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [(2R)-1-[2-(quinoxalin-2-ylamino)ethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[2-(quinoxalin-2-ylamino)ethyl]piperidin-2-yl]methanol
PubChem CID171359818
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[(2R)-1-[2-(quinoxalin-2-ylamino)ethyl]piperidin-2-yl]methanol
SMILESOC[C@H]1CCCCN1CCNc1cnc2ccccc2n1
InChIInChI=1S/C16H22N4O/c21-12-13-5-3-4-9-20(13)10-8-17-16-11-18-14-6-1-2-7-15(14)19-16/h1-2,6-7,11,13,21H,3-5,8-10,12H2,(H,17,19)/t13-/m1/s1
InChIKeyAUHNLXVDVRTCPY-CYBMUJFWSA-N
XLogP1.89
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-(quinoxalin-2-ylamino)ethyl]piperidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[2-(quinoxalin-2-ylamino)ethyl]piperidin-2-yl]methanol (CID 171359818) is [(2R)-1-[2-(quinoxalin-2-ylamino)ethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[2-(quinoxalin-2-ylamino)ethyl]piperidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[2-(quinoxalin-2-ylamino)ethyl]piperidin-2-yl]methanol is OC[C@H]1CCCCN1CCNc1cnc2ccccc2n1.
What is the InChIKey of [(2R)-1-[2-(quinoxalin-2-ylamino)ethyl]piperidin-2-yl]methanol?
The InChIKey is AUHNLXVDVRTCPY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4O/c21-12-13-5-3-4-9-20(13)10-8-17-16-11-18-14-6-1-2-7-15(14)19-16/h1-2,6-7,11,13,21H,3-5,8-10,12H2,(H,17,19)/t13-/m1/s1.
What are the key properties of [(2R)-1-[2-(quinoxalin-2-ylamino)ethyl]piperidin-2-yl]methanol?
[(2R)-1-[2-(quinoxalin-2-ylamino)ethyl]piperidin-2-yl]methanol has a molecular weight of 286.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-(quinoxalin-2-ylamino)ethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 171359818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).