1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)piperazine

C17H22FN5 — CID 120756289

IUPAC1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)piperazine
SMILESCn1c(CN2CCNCC2c2cccc(F)c2)nnc1C1CC1
InChIInChI=1S/C17H22FN5/c1-22-16(20-21-17(22)12-5-6-12)11-23-8-7-19-10-15(23)13-3-2-4-14(18)9-13/h2-4,9,12,15,19H,5-8,10-11H2,1H3
InChIKeyPVVNBCCKORNGRB-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.98
Rot. Bonds4

About 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)piperazine

1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)piperazine (PubChem CID 120756289) has the molecular formula C17H22FN5 and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)piperazine
PubChem CID120756289
Molecular FormulaC17H22FN5
Molecular Weight315.40 g/mol
Exact Mass315.19
IUPAC Name1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)piperazine
SMILESCn1c(CN2CCNCC2c2cccc(F)c2)nnc1C1CC1
InChIInChI=1S/C17H22FN5/c1-22-16(20-21-17(22)12-5-6-12)11-23-8-7-19-10-15(23)13-3-2-4-14(18)9-13/h2-4,9,12,15,19H,5-8,10-11H2,1H3
InChIKeyPVVNBCCKORNGRB-UHFFFAOYSA-N
XLogP1.98
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 167809253
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
2-(3-fluorophenyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine
CID 120756439
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 120768560
2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 120768574
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 120846511
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 120756803
1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768681
2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine
CID 120756509
2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120768387
2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120768598
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 120768428

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)piperazine?
The IUPAC name of 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)piperazine (CID 120756289) is 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)piperazine?
The canonical SMILES for 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)piperazine is Cn1c(CN2CCNCC2c2cccc(F)c2)nnc1C1CC1.
What is the InChIKey of 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)piperazine?
The InChIKey is PVVNBCCKORNGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5/c1-22-16(20-21-17(22)12-5-6-12)11-23-8-7-19-10-15(23)13-3-2-4-14(18)9-13/h2-4,9,12,15,19H,5-8,10-11H2,1H3.
What are the key properties of 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)piperazine?
1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)piperazine has a molecular weight of 315.40 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)piperazine is sourced from PubChem (CID 120756289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).