1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine

C17H21FN4O2 — CID 167854271

IUPAC1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine
SMILESCC1(C2CCN(c3ncn(-c4ccc(F)cc4)n3)CC2)OCCO1
InChIInChI=1S/C17H21FN4O2/c1-17(23-10-11-24-17)13-6-8-21(9-7-13)16-19-12-22(20-16)15-4-2-14(18)3-5-15/h2-5,12-13H,6-11H2,1H3
InChIKeyIFHATKFTPSMUCS-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.39
Rot. Bonds3

About 1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine

1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine (PubChem CID 167854271) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine
PubChem CID167854271
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine
SMILESCC1(C2CCN(c3ncn(-c4ccc(F)cc4)n3)CC2)OCCO1
InChIInChI=1S/C17H21FN4O2/c1-17(23-10-11-24-17)13-6-8-21(9-7-13)16-19-12-22(20-16)15-4-2-14(18)3-5-15/h2-5,12-13H,6-11H2,1H3
InChIKeyIFHATKFTPSMUCS-UHFFFAOYSA-N
XLogP2.39
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[3-(difluoromethyl)phenyl]-1,2,4-triazol-3-yl]-2-[4-(methoxymethyl)piperidin-1-yl]-4-(trifluoromethyl)-2H-pyridine
CID 124110835
1-[1-[3-(difluoromethyl)phenyl]-1,2,4-triazol-3-yl]-6-[4-(methoxymethyl)piperidin-1-yl]-4-(trifluoromethyl)-2H-pyridine
CID 124110836
3-fluoro-N-(oxan-4-ylmethyl)-4-(1,2,4-triazol-1-yl)aniline
CID 62386879
3-fluoro-N-[1-(oxolan-3-yl)ethyl]-4-(1,2,4-triazol-1-yl)aniline
CID 115929108
1-[1-(4-Fluorophenyl)-1,2,4-triazol-3-yl]-4-methoxypiperidine
CID 122154238
Ethyl 1-(1-phenyl-1,2,4-triazol-3-yl)piperidine-4-carboxylate
CID 44471258
8-(1-Phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 75365658
3-Methyl-8-(1-phenyltetrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 75372684
9-[[3-Methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 75500687
9-[[4-(1,2,4-Triazol-1-yl)phenyl]methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 75506844
N-methyl-N-(oxolan-3-ylmethyl)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 78899085
9-(1-Phenyltetrazol-5-yl)-1,4-dioxa-9-azaspiro[4.5]decane
CID 81720374

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine?
The IUPAC name of 1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine (CID 167854271) is 1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine?
The canonical SMILES for 1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine is CC1(C2CCN(c3ncn(-c4ccc(F)cc4)n3)CC2)OCCO1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine?
The InChIKey is IFHATKFTPSMUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-17(23-10-11-24-17)13-6-8-21(9-7-13)16-19-12-22(20-16)15-4-2-14(18)3-5-15/h2-5,12-13H,6-11H2,1H3.
What are the key properties of 1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine?
1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine has a molecular weight of 332.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine is sourced from PubChem (CID 167854271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).