(3R,4R)-4-amino-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-ol

C15H20N4O — CID 70786002

IUPAC(3R,4R)-4-amino-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-ol
SMILESCc1nc2ccccc2nc1CN1CC[C@@H](N)[C@H](O)C1
InChIInChI=1S/C15H20N4O/c1-10-14(8-19-7-6-11(16)15(20)9-19)18-13-5-3-2-4-12(13)17-10/h2-5,11,15,20H,6-9,16H2,1H3/t11-,15-/m1/s1
InChIKeyILOXEGSJORPQFZ-IAQYHMDHSA-N
MW272.35 g/mol
LogP0.83
Rot. Bonds2

About (3R,4R)-4-amino-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-ol

(3R,4R)-4-amino-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-ol (PubChem CID 70786002) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (3R,4R)-4-amino-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-amino-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-ol
PubChem CID70786002
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(3R,4R)-4-amino-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-ol
SMILESCc1nc2ccccc2nc1CN1CC[C@@H](N)[C@H](O)C1
InChIInChI=1S/C15H20N4O/c1-10-14(8-19-7-6-11(16)15(20)9-19)18-13-5-3-2-4-12(13)17-10/h2-5,11,15,20H,6-9,16H2,1H3/t11-,15-/m1/s1
InChIKeyILOXEGSJORPQFZ-IAQYHMDHSA-N
XLogP0.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride
CID 67227523
(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
CID 163338239
1-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-2-phenylethanone
CID 56885682
2-methyl-3-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoxaline
CID 56703574
(3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]pyrrolidin-3-amine
CID 81492580
2-methyl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoxaline
CID 95312010
5-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 99945566
(3R,4R)-4-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol
CID 70769986
(3,4-dimethoxyphenyl)-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]methanone
CID 25373372
[(3S,5R)-1-[(3-methylquinoxalin-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol
CID 133120430
(3-methylquinoxalin-2-yl)methanamine
CID 69010105
[(2S,4S)-4-fluoro-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 167952495

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-amino-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-ol (CID 70786002) is (3R,4R)-4-amino-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-amino-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-amino-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-ol is Cc1nc2ccccc2nc1CN1CC[C@@H](N)[C@H](O)C1.
What is the InChIKey of (3R,4R)-4-amino-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-ol?
The InChIKey is ILOXEGSJORPQFZ-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-14(8-19-7-6-11(16)15(20)9-19)18-13-5-3-2-4-12(13)17-10/h2-5,11,15,20H,6-9,16H2,1H3/t11-,15-/m1/s1.
What are the key properties of (3R,4R)-4-amino-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-ol?
(3R,4R)-4-amino-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-ol has a molecular weight of 272.35 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 70786002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).