4-[(3,4-difluorophenyl)methyl]-1-[2-(2H-triazol-4-yl)ethyl]piperidine

C16H20F2N4 — CID 146135871

IUPAC4-[(3,4-difluorophenyl)methyl]-1-[2-(2H-triazol-4-yl)ethyl]piperidine
SMILESFc1ccc(CC2CCN(CCc3cn[nH]n3)CC2)cc1F
InChIInChI=1S/C16H20F2N4/c17-15-2-1-13(10-16(15)18)9-12-3-6-22(7-4-12)8-5-14-11-19-21-20-14/h1-2,10-12H,3-9H2,(H,19,20,21)
InChIKeySFZGAKMGTPMZNJ-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.58
Rot. Bonds5

About 4-[(3,4-difluorophenyl)methyl]-1-[2-(2H-triazol-4-yl)ethyl]piperidine

4-[(3,4-difluorophenyl)methyl]-1-[2-(2H-triazol-4-yl)ethyl]piperidine (PubChem CID 146135871) has the molecular formula C16H20F2N4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 4-[(3,4-difluorophenyl)methyl]-1-[2-(2H-triazol-4-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-[(3,4-difluorophenyl)methyl]-1-[2-(2H-triazol-4-yl)ethyl]piperidine
PubChem CID146135871
Molecular FormulaC16H20F2N4
Molecular Weight306.36 g/mol
Exact Mass306.17
IUPAC Name4-[(3,4-difluorophenyl)methyl]-1-[2-(2H-triazol-4-yl)ethyl]piperidine
SMILESFc1ccc(CC2CCN(CCc3cn[nH]n3)CC2)cc1F
InChIInChI=1S/C16H20F2N4/c17-15-2-1-13(10-16(15)18)9-12-3-6-22(7-4-12)8-5-14-11-19-21-20-14/h1-2,10-12H,3-9H2,(H,19,20,21)
InChIKeySFZGAKMGTPMZNJ-UHFFFAOYSA-N
XLogP2.58
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclobutylmethyl)-1,2-difluorobenzene
CID 58414524
2-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-5-methylpyrimidine
CID 133480545
4-[(4-fluorophenyl)methyl]-1-(2-naphthalen-2-ylethyl)piperidine
CID 14280679
1-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-hydroxyethanone
CID 122138939
1-[2-(3,4-difluorophenyl)ethyl]-3-(2H-triazol-4-yl)piperidin-3-ol
CID 167954603
4-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 100699222
4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine
CID 133480564
5-[[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159138
3-cyclopropyl-5-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-1,2,4-thiadiazole
CID 133480614
1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine
CID 75518320
2-fluoro-5-[[1-(2-pyridin-3-ylethyl)pyrrolidin-3-yl]methyl]benzoic acid;formic acid
CID 171710037
3-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-methyl-3-oxopropanoic acid
CID 122065991

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenyl)methyl]-1-[2-(2H-triazol-4-yl)ethyl]piperidine?
The IUPAC name of 4-[(3,4-difluorophenyl)methyl]-1-[2-(2H-triazol-4-yl)ethyl]piperidine (CID 146135871) is 4-[(3,4-difluorophenyl)methyl]-1-[2-(2H-triazol-4-yl)ethyl]piperidine.
What is the SMILES notation for 4-[(3,4-difluorophenyl)methyl]-1-[2-(2H-triazol-4-yl)ethyl]piperidine?
The canonical SMILES for 4-[(3,4-difluorophenyl)methyl]-1-[2-(2H-triazol-4-yl)ethyl]piperidine is Fc1ccc(CC2CCN(CCc3cn[nH]n3)CC2)cc1F.
What is the InChIKey of 4-[(3,4-difluorophenyl)methyl]-1-[2-(2H-triazol-4-yl)ethyl]piperidine?
The InChIKey is SFZGAKMGTPMZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4/c17-15-2-1-13(10-16(15)18)9-12-3-6-22(7-4-12)8-5-14-11-19-21-20-14/h1-2,10-12H,3-9H2,(H,19,20,21).
What are the key properties of 4-[(3,4-difluorophenyl)methyl]-1-[2-(2H-triazol-4-yl)ethyl]piperidine?
4-[(3,4-difluorophenyl)methyl]-1-[2-(2H-triazol-4-yl)ethyl]piperidine has a molecular weight of 306.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorophenyl)methyl]-1-[2-(2H-triazol-4-yl)ethyl]piperidine is sourced from PubChem (CID 146135871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).