3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine

C11H19FN4 — CID 112563005

IUPAC3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCCCn1ncnc1CC1(F)CCCNC1
InChIInChI=1S/C11H19FN4/c1-2-6-16-10(14-9-15-16)7-11(12)4-3-5-13-8-11/h9,13H,2-8H2,1H3
InChIKeyOLZLJDDNAJUXPW-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.32
Rot. Bonds4

About 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine

3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine (PubChem CID 112563005) has the molecular formula C11H19FN4 and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine
PubChem CID112563005
Molecular FormulaC11H19FN4
Molecular Weight226.30 g/mol
Exact Mass226.16
IUPAC Name3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCCCn1ncnc1CC1(F)CCCNC1
InChIInChI=1S/C11H19FN4/c1-2-6-16-10(14-9-15-16)7-11(12)4-3-5-13-8-11/h9,13H,2-8H2,1H3
InChIKeyOLZLJDDNAJUXPW-UHFFFAOYSA-N
XLogP1.32
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine?
The IUPAC name of 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine (CID 112563005) is 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine.
What is the SMILES notation for 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine?
The canonical SMILES for 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine is CCCn1ncnc1CC1(F)CCCNC1.
What is the InChIKey of 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine?
The InChIKey is OLZLJDDNAJUXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4/c1-2-6-16-10(14-9-15-16)7-11(12)4-3-5-13-8-11/h9,13H,2-8H2,1H3.
What are the key properties of 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine?
3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine has a molecular weight of 226.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine is sourced from PubChem (CID 112563005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).