1-[[5-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine

C19H28FN7 — CID 72900606

IUPAC1-[[5-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2nnc(C3CCN(c4ncccc4F)CC3)n2C)CC1
InChIInChI=1S/C19H28FN7/c1-24-10-12-26(13-11-24)14-17-22-23-18(25(17)2)15-5-8-27(9-6-15)19-16(20)4-3-7-21-19/h3-4,7,15H,5-6,8-14H2,1-2H3
InChIKeyPUDBGADEYKKJBJ-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.48
Rot. Bonds4

About 1-[[5-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine

1-[[5-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine (PubChem CID 72900606) has the molecular formula C19H28FN7 and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-[[5-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[5-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine
PubChem CID72900606
Molecular FormulaC19H28FN7
Molecular Weight373.48 g/mol
Exact Mass373.24
IUPAC Name1-[[5-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2nnc(C3CCN(c4ncccc4F)CC3)n2C)CC1
InChIInChI=1S/C19H28FN7/c1-24-10-12-26(13-11-24)14-17-22-23-18(25(17)2)15-5-8-27(9-6-15)19-16(20)4-3-7-21-19/h3-4,7,15H,5-6,8-14H2,1-2H3
InChIKeyPUDBGADEYKKJBJ-UHFFFAOYSA-N
XLogP1.48
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[[5-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine with MolForge

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Launch Full Analysis

Related Compounds

4-[[4-methyl-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 70712761
1-[[5-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine
CID 72872598
4-[[5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 72911931
2-[4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-fluoropyridine
CID 72868380
1-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 72870073
1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]azepane
CID 72884249
(3-hydroxy-2-pyridinyl)-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 72917230
1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 70740331
1-[[5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]azepane
CID 72887253
2-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 72841662
3-methyl-6-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine
CID 70767796
1-[(2-methylphenyl)methyl]-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 72928742

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[5-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine (CID 72900606) is 1-[[5-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[5-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[5-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine is CN1CCN(Cc2nnc(C3CCN(c4ncccc4F)CC3)n2C)CC1.
What is the InChIKey of 1-[[5-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine?
The InChIKey is PUDBGADEYKKJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN7/c1-24-10-12-26(13-11-24)14-17-22-23-18(25(17)2)15-5-8-27(9-6-15)19-16(20)4-3-7-21-19/h3-4,7,15H,5-6,8-14H2,1-2H3.
What are the key properties of 1-[[5-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine?
1-[[5-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine has a molecular weight of 373.48 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 72900606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).