4-[1-fluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine

C12H21FN4 — CID 112563844

IUPAC4-[1-fluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine
SMILESCC(C)n1ncnc1CC(F)C1CCNCC1
InChIInChI=1S/C12H21FN4/c1-9(2)17-12(15-8-16-17)7-11(13)10-3-5-14-6-4-10/h8-11,14H,3-7H2,1-2H3
InChIKeyJDYKDUGDSZTYQR-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.74
Rot. Bonds4

About 4-[1-fluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine

4-[1-fluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine (PubChem CID 112563844) has the molecular formula C12H21FN4 and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-[1-fluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-[1-fluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine
PubChem CID112563844
Molecular FormulaC12H21FN4
Molecular Weight240.33 g/mol
Exact Mass240.18
IUPAC Name4-[1-fluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine
SMILESCC(C)n1ncnc1CC(F)C1CCNCC1
InChIInChI=1S/C12H21FN4/c1-9(2)17-12(15-8-16-17)7-11(13)10-3-5-14-6-4-10/h8-11,14H,3-7H2,1-2H3
InChIKeyJDYKDUGDSZTYQR-UHFFFAOYSA-N
XLogP1.74
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
CID 115813961
N-methyl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]azepan-4-amine
CID 107173415
1-cyclobutyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 103170087
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanone
CID 116568448
1-cyclobutyl-N-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 103168954
2-methyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine
CID 106780031
N-[2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propyl]cyclobutanamine
CID 114899121
1-(2-propan-2-yl-1,2,4-triazol-3-yl)butane-2,3-diol
CID 103452773
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999743
4-fluoro-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]azepane
CID 103983894
5-[(3-cyclopentylazetidin-3-yl)methyl]-1-propan-2-yl-1,2,4-triazole
CID 112571297
(2S)-2-amino-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propanoic acid
CID 106702633

Frequently Asked Questions

What is the IUPAC name of 4-[1-fluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine?
The IUPAC name of 4-[1-fluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine (CID 112563844) is 4-[1-fluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine.
What is the SMILES notation for 4-[1-fluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine?
The canonical SMILES for 4-[1-fluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine is CC(C)n1ncnc1CC(F)C1CCNCC1.
What is the InChIKey of 4-[1-fluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine?
The InChIKey is JDYKDUGDSZTYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN4/c1-9(2)17-12(15-8-16-17)7-11(13)10-3-5-14-6-4-10/h8-11,14H,3-7H2,1-2H3.
What are the key properties of 4-[1-fluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine?
4-[1-fluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine has a molecular weight of 240.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-fluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine is sourced from PubChem (CID 112563844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).