(2R,4S)-4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine

C9H15FN4 — CID 176650187

IUPAC(2R,4S)-4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESC[C@@H]1C[C@](F)(c2nncn2C)CCN1
InChIInChI=1S/C9H15FN4/c1-7-5-9(10,3-4-11-7)8-13-12-6-14(8)2/h6-7,11H,3-5H2,1-2H3/t7-,9+/m1/s1
InChIKeyWCVNTPSBVQRIMG-APPZFPTMSA-N
MW198.24 g/mol
LogP0.75
Rot. Bonds1

About (2R,4S)-4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine

(2R,4S)-4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 176650187) has the molecular formula C9H15FN4 and a molecular weight of 198.24 g/mol. Its IUPAC name is (2R,4S)-4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name(2R,4S)-4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
PubChem CID176650187
Molecular FormulaC9H15FN4
Molecular Weight198.24 g/mol
Exact Mass198.13
IUPAC Name(2R,4S)-4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESC[C@@H]1C[C@](F)(c2nncn2C)CCN1
InChIInChI=1S/C9H15FN4/c1-7-5-9(10,3-4-11-7)8-13-12-6-14(8)2/h6-7,11H,3-5H2,1-2H3/t7-,9+/m1/s1
InChIKeyWCVNTPSBVQRIMG-APPZFPTMSA-N
XLogP0.75
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,4S)-4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)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

4-(4-Isopropyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 50988293
4-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 25658249
3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62692577
4-(3-ethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 83282897
3-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 43810594
4-methyl-4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 165871877
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 56702202
3-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62694266
[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]methyl(3-piperidinylmethyl)amine dihydrochloride
CID 70768653
4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 79605567
4-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)piperidine
CID 83279224
4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 46737139

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of (2R,4S)-4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine (CID 176650187) is (2R,4S)-4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for (2R,4S)-4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for (2R,4S)-4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine is C[C@@H]1C[C@](F)(c2nncn2C)CCN1.
What is the InChIKey of (2R,4S)-4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is WCVNTPSBVQRIMG-APPZFPTMSA-N. The full InChI is InChI=1S/C9H15FN4/c1-7-5-9(10,3-4-11-7)8-13-12-6-14(8)2/h6-7,11H,3-5H2,1-2H3/t7-,9+/m1/s1.
What are the key properties of (2R,4S)-4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
(2R,4S)-4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 198.24 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 176650187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).