1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)piperidine

C15H16ClF3N4 — CID 99829139

IUPAC1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)piperidine
SMILESFC(F)(F)c1cc(Cl)cc(CN2CCC(n3cncn3)CC2)c1
InChIInChI=1S/C15H16ClF3N4/c16-13-6-11(5-12(7-13)15(17,18)19)8-22-3-1-14(2-4-22)23-10-20-9-21-23/h5-7,9-10,14H,1-4,8H2
InChIKeySOAWPGAMCLBSDC-UHFFFAOYSA-N
MW344.77 g/mol
LogP3.79
Rot. Bonds3

About 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)piperidine

1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)piperidine (PubChem CID 99829139) has the molecular formula C15H16ClF3N4 and a molecular weight of 344.77 g/mol. Its IUPAC name is 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)piperidine.

Molecular Properties

Compound Name1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)piperidine
PubChem CID99829139
Molecular FormulaC15H16ClF3N4
Molecular Weight344.77 g/mol
Exact Mass344.10
IUPAC Name1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)piperidine
SMILESFC(F)(F)c1cc(Cl)cc(CN2CCC(n3cncn3)CC2)c1
InChIInChI=1S/C15H16ClF3N4/c16-13-6-11(5-12(7-13)15(17,18)19)8-22-3-1-14(2-4-22)23-10-20-9-21-23/h5-7,9-10,14H,1-4,8H2
InChIKeySOAWPGAMCLBSDC-UHFFFAOYSA-N
XLogP3.79
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.77
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;hydrochloride
CID 120834544
3-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120842158
1-[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 120838209
5-[[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 47089231
1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-4-(1,2,4-triazol-1-yl)piperidine
CID 99829138
(8aR)-7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 99823948
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 87929151
(4-aminopyrazol-1-yl)-[4-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 145316065
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-yl)piperidine
CID 75439034
1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine
CID 130192199
1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene
CID 3714672
1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)piperidine
CID 172647999

Frequently Asked Questions

What is the IUPAC name of 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)piperidine?
The IUPAC name of 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)piperidine (CID 99829139) is 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)piperidine.
What is the SMILES notation for 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)piperidine?
The canonical SMILES for 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)piperidine is FC(F)(F)c1cc(Cl)cc(CN2CCC(n3cncn3)CC2)c1.
What is the InChIKey of 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)piperidine?
The InChIKey is SOAWPGAMCLBSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N4/c16-13-6-11(5-12(7-13)15(17,18)19)8-22-3-1-14(2-4-22)23-10-20-9-21-23/h5-7,9-10,14H,1-4,8H2.
What are the key properties of 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)piperidine?
1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)piperidine has a molecular weight of 344.77 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)piperidine is sourced from PubChem (CID 99829139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).