[3-[1-[(1S)-1-(4-chlorophenyl)ethyl]triazol-4-yl]morpholin-3-yl]methanol

C15H19ClN4O2 — CID 167749819

IUPAC[3-[1-[(1S)-1-(4-chlorophenyl)ethyl]triazol-4-yl]morpholin-3-yl]methanol
SMILESC[C@@H](c1ccc(Cl)cc1)n1cc(C2(CO)COCCN2)nn1
InChIInChI=1S/C15H19ClN4O2/c1-11(12-2-4-13(16)5-3-12)20-8-14(18-19-20)15(9-21)10-22-7-6-17-15/h2-5,8,11,17,21H,6-7,9-10H2,1H3/t11-,15?/m0/s1
InChIKeyNATDODMYXPZAAO-VPHXOMNUSA-N
MW322.80 g/mol
LogP1.35
Rot. Bonds4

About [3-[1-[(1S)-1-(4-chlorophenyl)ethyl]triazol-4-yl]morpholin-3-yl]methanol

[3-[1-[(1S)-1-(4-chlorophenyl)ethyl]triazol-4-yl]morpholin-3-yl]methanol (PubChem CID 167749819) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is [3-[1-[(1S)-1-(4-chlorophenyl)ethyl]triazol-4-yl]morpholin-3-yl]methanol.

Molecular Properties

Compound Name[3-[1-[(1S)-1-(4-chlorophenyl)ethyl]triazol-4-yl]morpholin-3-yl]methanol
PubChem CID167749819
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name[3-[1-[(1S)-1-(4-chlorophenyl)ethyl]triazol-4-yl]morpholin-3-yl]methanol
SMILESC[C@@H](c1ccc(Cl)cc1)n1cc(C2(CO)COCCN2)nn1
InChIInChI=1S/C15H19ClN4O2/c1-11(12-2-4-13(16)5-3-12)20-8-14(18-19-20)15(9-21)10-22-7-6-17-15/h2-5,8,11,17,21H,6-7,9-10H2,1H3/t11-,15?/m0/s1
InChIKeyNATDODMYXPZAAO-VPHXOMNUSA-N
XLogP1.35
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[2-[4-(3-Chlorophenyl)triazol-1-yl]ethoxy]ethyl]piperazine
CID 135022774
N-[[1-[(4-chloro-3-fluorophenyl)methyl]triazol-4-yl]methyl]-2-methoxyethanamine
CID 107889094
2-(4-Chloro-3-fluorophenyl)-2-[(3-methyltriazol-4-yl)methylamino]ethanol
CID 109943360
N-[[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]methyl]-2-methoxyethanamine
CID 114862141
(3R,4R,5R)-4-[(4-chloro-3-fluorophenyl)methylamino]-5-[(4-phenyltriazol-1-yl)methyl]oxolan-3-ol
CID 137918228
(3R,4R,5R)-4-[(4-chloro-3-fluorophenyl)methylamino]-5-[[4-(morpholin-4-ylmethyl)triazol-1-yl]methyl]oxolan-3-ol
CID 137918324
(3R,4R,5R)-4-[(4-chloro-3-fluorophenyl)methylamino]-5-[(4-cyclopropyltriazol-1-yl)methyl]oxolan-3-ol
CID 137918376
(3R,4R,5R)-5-[(4-tert-butyltriazol-1-yl)methyl]-4-[(4-chloro-3-fluorophenyl)methylamino]oxolan-3-ol
CID 137918432
(3R,4R,5R)-4-[(4-chloro-3-fluorophenyl)methylamino]-5-[[4-(3-fluorophenyl)triazol-1-yl]methyl]oxolan-3-ol
CID 137918489
3-[1-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]triazol-4-yl]morpholine
CID 138051998
4-[[4-[Amino-(4-chloro-2-fluorophenyl)methyl]triazol-1-yl]methyl]oxan-4-ol
CID 138056490
2-[4-(4-Chloro-2-fluorophenyl)triazol-1-yl]-1-piperidin-3-ylethanol
CID 166300281

Frequently Asked Questions

What is the IUPAC name of [3-[1-[(1S)-1-(4-chlorophenyl)ethyl]triazol-4-yl]morpholin-3-yl]methanol?
The IUPAC name of [3-[1-[(1S)-1-(4-chlorophenyl)ethyl]triazol-4-yl]morpholin-3-yl]methanol (CID 167749819) is [3-[1-[(1S)-1-(4-chlorophenyl)ethyl]triazol-4-yl]morpholin-3-yl]methanol.
What is the SMILES notation for [3-[1-[(1S)-1-(4-chlorophenyl)ethyl]triazol-4-yl]morpholin-3-yl]methanol?
The canonical SMILES for [3-[1-[(1S)-1-(4-chlorophenyl)ethyl]triazol-4-yl]morpholin-3-yl]methanol is C[C@@H](c1ccc(Cl)cc1)n1cc(C2(CO)COCCN2)nn1.
What is the InChIKey of [3-[1-[(1S)-1-(4-chlorophenyl)ethyl]triazol-4-yl]morpholin-3-yl]methanol?
The InChIKey is NATDODMYXPZAAO-VPHXOMNUSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-11(12-2-4-13(16)5-3-12)20-8-14(18-19-20)15(9-21)10-22-7-6-17-15/h2-5,8,11,17,21H,6-7,9-10H2,1H3/t11-,15?/m0/s1.
What are the key properties of [3-[1-[(1S)-1-(4-chlorophenyl)ethyl]triazol-4-yl]morpholin-3-yl]methanol?
[3-[1-[(1S)-1-(4-chlorophenyl)ethyl]triazol-4-yl]morpholin-3-yl]methanol has a molecular weight of 322.80 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[(1S)-1-(4-chlorophenyl)ethyl]triazol-4-yl]morpholin-3-yl]methanol is sourced from PubChem (CID 167749819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).