3-[fluoro-(3-phenyltriazol-4-yl)methyl]piperidine

C14H17FN4 — CID 114691734

IUPAC3-[fluoro-(3-phenyltriazol-4-yl)methyl]piperidine
SMILESFC(c1cnnn1-c1ccccc1)C1CCCNC1
InChIInChI=1S/C14H17FN4/c15-14(11-5-4-8-16-9-11)13-10-17-18-19(13)12-6-2-1-3-7-12/h1-3,6-7,10-11,14,16H,4-5,8-9H2
InChIKeyJHQCLRPVIOGNQG-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.28
Rot. Bonds3

About 3-[fluoro-(3-phenyltriazol-4-yl)methyl]piperidine

3-[fluoro-(3-phenyltriazol-4-yl)methyl]piperidine (PubChem CID 114691734) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 3-[fluoro-(3-phenyltriazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[fluoro-(3-phenyltriazol-4-yl)methyl]piperidine
PubChem CID114691734
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name3-[fluoro-(3-phenyltriazol-4-yl)methyl]piperidine
SMILESFC(c1cnnn1-c1ccccc1)C1CCCNC1
InChIInChI=1S/C14H17FN4/c15-14(11-5-4-8-16-9-11)13-10-17-18-19(13)12-6-2-1-3-7-12/h1-3,6-7,10-11,14,16H,4-5,8-9H2
InChIKeyJHQCLRPVIOGNQG-UHFFFAOYSA-N
XLogP2.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[fluoro-(3-phenyltriazol-4-yl)methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopropyl-(3-phenyltriazol-4-yl)methanamine
CID 114687020
3-[fluoro(piperidin-3-yl)methyl]pyridin-4-amine
CID 112565468
3-[fluoro-(2-propan-2-yloxyphenyl)methyl]piperidine
CID 112565466
(R)-phenyl-[(3S)-piperidin-3-yl]methanol
CID 39238461
4-(3-phenyltriazol-4-yl)piperidine
CID 84692024
3-[fluoro(piperidin-3-yl)methyl]-4-(trifluoromethyl)pyridine
CID 102709283
3-[fluoro-(1-methylpyrazol-3-yl)methyl]piperidine
CID 103132870
3-(1-fluoro-3-phenylpropyl)piperidine
CID 83855350
2-[fluoro(piperidin-3-yl)methyl]pyrazine
CID 112565423
4-[fluoro(phenyl)methyl]azepane
CID 84722518
2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
CID 103517148
3-[(2,5-dichlorophenyl)-fluoromethyl]piperidine
CID 112565315

Frequently Asked Questions

What is the IUPAC name of 3-[fluoro-(3-phenyltriazol-4-yl)methyl]piperidine?
The IUPAC name of 3-[fluoro-(3-phenyltriazol-4-yl)methyl]piperidine (CID 114691734) is 3-[fluoro-(3-phenyltriazol-4-yl)methyl]piperidine.
What is the SMILES notation for 3-[fluoro-(3-phenyltriazol-4-yl)methyl]piperidine?
The canonical SMILES for 3-[fluoro-(3-phenyltriazol-4-yl)methyl]piperidine is FC(c1cnnn1-c1ccccc1)C1CCCNC1.
What is the InChIKey of 3-[fluoro-(3-phenyltriazol-4-yl)methyl]piperidine?
The InChIKey is JHQCLRPVIOGNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c15-14(11-5-4-8-16-9-11)13-10-17-18-19(13)12-6-2-1-3-7-12/h1-3,6-7,10-11,14,16H,4-5,8-9H2.
What are the key properties of 3-[fluoro-(3-phenyltriazol-4-yl)methyl]piperidine?
3-[fluoro-(3-phenyltriazol-4-yl)methyl]piperidine has a molecular weight of 260.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro-(3-phenyltriazol-4-yl)methyl]piperidine is sourced from PubChem (CID 114691734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).