(3S)-1-[3-(methylamino)quinoxalin-2-yl]piperidin-3-ol

C14H18N4O — CID 71648045

IUPAC(3S)-1-[3-(methylamino)quinoxalin-2-yl]piperidin-3-ol
SMILESCNc1nc2ccccc2nc1N1CCC[C@H](O)C1
InChIInChI=1S/C14H18N4O/c1-15-13-14(18-8-4-5-10(19)9-18)17-12-7-3-2-6-11(12)16-13/h2-3,6-7,10,19H,4-5,8-9H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyWFPGVSGIXWLBCW-JTQLQIEISA-N
MW258.32 g/mol
LogP1.63
Rot. Bonds2

About (3S)-1-[3-(methylamino)quinoxalin-2-yl]piperidin-3-ol

(3S)-1-[3-(methylamino)quinoxalin-2-yl]piperidin-3-ol (PubChem CID 71648045) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (3S)-1-[3-(methylamino)quinoxalin-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[3-(methylamino)quinoxalin-2-yl]piperidin-3-ol
PubChem CID71648045
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(3S)-1-[3-(methylamino)quinoxalin-2-yl]piperidin-3-ol
SMILESCNc1nc2ccccc2nc1N1CCC[C@H](O)C1
InChIInChI=1S/C14H18N4O/c1-15-13-14(18-8-4-5-10(19)9-18)17-12-7-3-2-6-11(12)16-13/h2-3,6-7,10,19H,4-5,8-9H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyWFPGVSGIXWLBCW-JTQLQIEISA-N
XLogP1.63
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[3-(methylamino)quinoxalin-2-yl]pyrrolidin-3-yl]methanol
CID 71648040
3-[(3R)-3-aminopyrrolidin-1-yl]-N-methylquinoxalin-2-amine;hydrochloride
CID 71642532
(3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol
CID 95034913
N-methyl-3-[4-(methylamino)piperidin-1-yl]quinoxalin-2-amine
CID 71642821
1-[3-(methylaminomethyl)quinolin-2-yl]piperidin-3-ol
CID 61434840
1-[3-(methylamino)quinoxalin-2-yl]piperidine-4-carboxylic acid
CID 71648035
1-(2-hydrazinylquinazolin-4-yl)piperidin-3-ol
CID 80906442
(3R)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-ol
CID 71649300
(3R)-1-(3-chloroquinoxalin-2-yl)-N-methylpiperidin-3-amine
CID 97164747
1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-3-ol
CID 80993142
N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 4599321
1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol
CID 11415528

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(methylamino)quinoxalin-2-yl]piperidin-3-ol?
The IUPAC name of (3S)-1-[3-(methylamino)quinoxalin-2-yl]piperidin-3-ol (CID 71648045) is (3S)-1-[3-(methylamino)quinoxalin-2-yl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[3-(methylamino)quinoxalin-2-yl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[3-(methylamino)quinoxalin-2-yl]piperidin-3-ol is CNc1nc2ccccc2nc1N1CCC[C@H](O)C1.
What is the InChIKey of (3S)-1-[3-(methylamino)quinoxalin-2-yl]piperidin-3-ol?
The InChIKey is WFPGVSGIXWLBCW-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N4O/c1-15-13-14(18-8-4-5-10(19)9-18)17-12-7-3-2-6-11(12)16-13/h2-3,6-7,10,19H,4-5,8-9H2,1H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (3S)-1-[3-(methylamino)quinoxalin-2-yl]piperidin-3-ol?
(3S)-1-[3-(methylamino)quinoxalin-2-yl]piperidin-3-ol has a molecular weight of 258.32 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(methylamino)quinoxalin-2-yl]piperidin-3-ol is sourced from PubChem (CID 71648045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).