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

C10H17FN4 — CID 172880676

IUPAC4-(fluoromethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCn1ncnc1CN1CCC(CF)CC1
InChIInChI=1S/C10H17FN4/c1-14-10(12-8-13-14)7-15-4-2-9(6-11)3-5-15/h8-9H,2-7H2,1H3
InChIKeyRWGRZBGJUOUQHV-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.00
Rot. Bonds3

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

4-(fluoromethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine (PubChem CID 172880676) has the molecular formula C10H17FN4 and a molecular weight of 212.27 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(fluoromethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine
PubChem CID172880676
Molecular FormulaC10H17FN4
Molecular Weight212.27 g/mol
Exact Mass212.14
IUPAC Name4-(fluoromethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCn1ncnc1CN1CCC(CF)CC1
InChIInChI=1S/C10H17FN4/c1-14-10(12-8-13-14)7-15-4-2-9(6-11)3-5-15/h8-9H,2-7H2,1H3
InChIKeyRWGRZBGJUOUQHV-UHFFFAOYSA-N
XLogP1.00
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine?
The IUPAC name of 4-(fluoromethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine (CID 172880676) is 4-(fluoromethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine.
What is the SMILES notation for 4-(fluoromethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine?
The canonical SMILES for 4-(fluoromethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine is Cn1ncnc1CN1CCC(CF)CC1.
What is the InChIKey of 4-(fluoromethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine?
The InChIKey is RWGRZBGJUOUQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4/c1-14-10(12-8-13-14)7-15-4-2-9(6-11)3-5-15/h8-9H,2-7H2,1H3.
What are the key properties of 4-(fluoromethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine?
4-(fluoromethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine has a molecular weight of 212.27 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine is sourced from PubChem (CID 172880676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).