1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-4-(3-methoxyphenyl)piperidine

C21H23FN4O — CID 118168622

IUPAC1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-4-(3-methoxyphenyl)piperidine
SMILESCOc1cccc(C2CCN(Cc3cn(-c4ccc(F)cc4)nn3)CC2)c1
InChIInChI=1S/C21H23FN4O/c1-27-21-4-2-3-17(13-21)16-9-11-25(12-10-16)14-19-15-26(24-23-19)20-7-5-18(22)6-8-20/h2-8,13,15-16H,9-12,14H2,1H3
InChIKeyGEGQRZAVXNLQOW-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.79
Rot. Bonds5

About 1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-4-(3-methoxyphenyl)piperidine

1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-4-(3-methoxyphenyl)piperidine (PubChem CID 118168622) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-4-(3-methoxyphenyl)piperidine.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-4-(3-methoxyphenyl)piperidine
PubChem CID118168622
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-4-(3-methoxyphenyl)piperidine
SMILESCOc1cccc(C2CCN(Cc3cn(-c4ccc(F)cc4)nn3)CC2)c1
InChIInChI=1S/C21H23FN4O/c1-27-21-4-2-3-17(13-21)16-9-11-25(12-10-16)14-19-15-26(24-23-19)20-7-5-18(22)6-8-20/h2-8,13,15-16H,9-12,14H2,1H3
InChIKeyGEGQRZAVXNLQOW-UHFFFAOYSA-N
XLogP3.79
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-2-[[4-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine
CID 118168648
1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]piperazine
CID 117167709
1-[[1-[(3E,5Z)-3-fluoro-7-methyl-2-methylidenenona-3,5-dienyl]triazol-4-yl]methyl]-4-(3-methoxyphenyl)piperidine
CID 146631281
2-[1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]piperidin-4-yl]oxypyrazine
CID 138037685
4-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenyltriazole
CID 56898354
3-[1-[[1-[(3-fluorophenyl)methyl]triazol-4-yl]methyl]piperidin-4-yl]phenol
CID 118173363
1-[[1-(3-fluorophenyl)triazol-4-yl]methyl]piperazine
CID 117167600
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
5-fluoro-2-[[4-[[4-(3-nitrosophenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine
CID 155107647
2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid
CID 18184335
3-[1-[[1-[(6-fluoro-2-pyridinyl)methyl]triazol-4-yl]methyl]piperidin-4-yl]phenol
CID 118173597
6-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-1,3-benzothiazol-2-amine
CID 118173476

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-4-(3-methoxyphenyl)piperidine?
The IUPAC name of 1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-4-(3-methoxyphenyl)piperidine (CID 118168622) is 1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-4-(3-methoxyphenyl)piperidine.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-4-(3-methoxyphenyl)piperidine?
The canonical SMILES for 1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-4-(3-methoxyphenyl)piperidine is COc1cccc(C2CCN(Cc3cn(-c4ccc(F)cc4)nn3)CC2)c1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-4-(3-methoxyphenyl)piperidine?
The InChIKey is GEGQRZAVXNLQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-27-21-4-2-3-17(13-21)16-9-11-25(12-10-16)14-19-15-26(24-23-19)20-7-5-18(22)6-8-20/h2-8,13,15-16H,9-12,14H2,1H3.
What are the key properties of 1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-4-(3-methoxyphenyl)piperidine?
1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-4-(3-methoxyphenyl)piperidine has a molecular weight of 366.44 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-4-(3-methoxyphenyl)piperidine is sourced from PubChem (CID 118168622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).