[(3S,5R)-1-[(3-methylquinoxalin-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol

C21H30N4O2 — CID 133120430

IUPAC[(3S,5R)-1-[(3-methylquinoxalin-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol
SMILESCc1nc2ccccc2nc1CN1C[C@@H](CO)C[C@@H](CN2CCOCC2)C1
InChIInChI=1S/C21H30N4O2/c1-16-21(23-20-5-3-2-4-19(20)22-16)14-25-12-17(10-18(13-25)15-26)11-24-6-8-27-9-7-24/h2-5,17-18,26H,6-15H2,1H3/t17-,18-/m0/s1
InChIKeyLIMBFIUOEXNCSU-ROUUACIJSA-N
MW370.50 g/mol
LogP1.70
Rot. Bonds5

About [(3S,5R)-1-[(3-methylquinoxalin-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol

[(3S,5R)-1-[(3-methylquinoxalin-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol (PubChem CID 133120430) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is [(3S,5R)-1-[(3-methylquinoxalin-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,5R)-1-[(3-methylquinoxalin-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol
PubChem CID133120430
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name[(3S,5R)-1-[(3-methylquinoxalin-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol
SMILESCc1nc2ccccc2nc1CN1C[C@@H](CO)C[C@@H](CN2CCOCC2)C1
InChIInChI=1S/C21H30N4O2/c1-16-21(23-20-5-3-2-4-19(20)22-16)14-25-12-17(10-18(13-25)15-26)11-24-6-8-27-9-7-24/h2-5,17-18,26H,6-15H2,1H3/t17-,18-/m0/s1
InChIKeyLIMBFIUOEXNCSU-ROUUACIJSA-N
XLogP1.70
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3S,5R)-1-[(3-methylquinoxalin-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol with MolForge

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Related Compounds

1-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone
CID 72841875
[(2S,4R)-4-methoxy-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 154757023
2-(3-methylquinoxalin-2-yl)-1-morpholin-4-ylethanone
CID 3667314
[(2S,4S)-4-fluoro-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 167952495
(3R,4R)-4-amino-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-ol
CID 70786002
[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 72837140
4-[[(3R)-1-(2,3-dimethylquinolin-4-yl)piperidin-3-yl]methyl]morpholine
CID 154755885
[(3R,5S)-1-[3-(4-fluorophenyl)prop-2-enyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol
CID 91940167
1-[(3S,5S)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 133127611
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 156603708
[(3R,5S)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]-5-(pyrrolidin-1-ylmethyl)piperidin-3-yl]methanol
CID 133114523
2-methyl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoxaline
CID 95312010

Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-1-[(3-methylquinoxalin-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol?
The IUPAC name of [(3S,5R)-1-[(3-methylquinoxalin-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol (CID 133120430) is [(3S,5R)-1-[(3-methylquinoxalin-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S,5R)-1-[(3-methylquinoxalin-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S,5R)-1-[(3-methylquinoxalin-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol is Cc1nc2ccccc2nc1CN1C[C@@H](CO)C[C@@H](CN2CCOCC2)C1.
What is the InChIKey of [(3S,5R)-1-[(3-methylquinoxalin-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol?
The InChIKey is LIMBFIUOEXNCSU-ROUUACIJSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-16-21(23-20-5-3-2-4-19(20)22-16)14-25-12-17(10-18(13-25)15-26)11-24-6-8-27-9-7-24/h2-5,17-18,26H,6-15H2,1H3/t17-,18-/m0/s1.
What are the key properties of [(3S,5R)-1-[(3-methylquinoxalin-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol?
[(3S,5R)-1-[(3-methylquinoxalin-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol has a molecular weight of 370.50 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-1-[(3-methylquinoxalin-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 133120430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).