4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine;hydrochloride

C9H13ClF3N3 — CID 86775176

IUPAC4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine;hydrochloride
SMILESCl.FC(F)(F)c1cnn(C2CCNCC2)c1
InChIInChI=1S/C9H12F3N3.ClH/c10-9(11,12)7-5-14-15(6-7)8-1-3-13-4-2-8;/h5-6,8,13H,1-4H2;1H
InChIKeyHTKFBYHOCYPACP-UHFFFAOYSA-N
MW255.67 g/mol
LogP2.25
Rot. Bonds1

About 4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine;hydrochloride

4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine;hydrochloride (PubChem CID 86775176) has the molecular formula C9H13ClF3N3 and a molecular weight of 255.67 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine;hydrochloride
PubChem CID86775176
Molecular FormulaC9H13ClF3N3
Molecular Weight255.67 g/mol
Exact Mass255.08
IUPAC Name4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine;hydrochloride
SMILESCl.FC(F)(F)c1cnn(C2CCNCC2)c1
InChIInChI=1S/C9H12F3N3.ClH/c10-9(11,12)7-5-14-15(6-7)8-1-3-13-4-2-8;/h5-6,8,13H,1-4H2;1H
InChIKeyHTKFBYHOCYPACP-UHFFFAOYSA-N
XLogP2.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.67
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine;hydrochloride?
The IUPAC name of 4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine;hydrochloride (CID 86775176) is 4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine;hydrochloride.
What is the SMILES notation for 4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine;hydrochloride?
The canonical SMILES for 4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine;hydrochloride is Cl.FC(F)(F)c1cnn(C2CCNCC2)c1.
What is the InChIKey of 4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine;hydrochloride?
The InChIKey is HTKFBYHOCYPACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3.ClH/c10-9(11,12)7-5-14-15(6-7)8-1-3-13-4-2-8;/h5-6,8,13H,1-4H2;1H.
What are the key properties of 4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine;hydrochloride?
4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine;hydrochloride has a molecular weight of 255.67 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine;hydrochloride is sourced from PubChem (CID 86775176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).