4-(4-fluoro-1H-pyrazol-5-yl)piperidine;dihydrochloride

C8H14Cl2FN3 — CID 155970629

IUPAC4-(4-fluoro-1H-pyrazol-5-yl)piperidine;dihydrochloride
SMILESCl.Cl.Fc1cn[nH]c1C1CCNCC1
InChIInChI=1S/C8H12FN3.2ClH/c9-7-5-11-12-8(7)6-1-3-10-4-2-6;;/h5-6,10H,1-4H2,(H,11,12);2*1H
InChIKeyYDGLERUDCCTHKG-UHFFFAOYSA-N
MW242.12 g/mol
LogP1.86
Rot. Bonds1

About 4-(4-fluoro-1H-pyrazol-5-yl)piperidine;dihydrochloride

4-(4-fluoro-1H-pyrazol-5-yl)piperidine;dihydrochloride (PubChem CID 155970629) has the molecular formula C8H14Cl2FN3 and a molecular weight of 242.12 g/mol. Its IUPAC name is 4-(4-fluoro-1H-pyrazol-5-yl)piperidine;dihydrochloride.

Molecular Properties

Compound Name4-(4-fluoro-1H-pyrazol-5-yl)piperidine;dihydrochloride
PubChem CID155970629
Molecular FormulaC8H14Cl2FN3
Molecular Weight242.12 g/mol
Exact Mass241.05
IUPAC Name4-(4-fluoro-1H-pyrazol-5-yl)piperidine;dihydrochloride
SMILESCl.Cl.Fc1cn[nH]c1C1CCNCC1
InChIInChI=1S/C8H12FN3.2ClH/c9-7-5-11-12-8(7)6-1-3-10-4-2-6;;/h5-6,10H,1-4H2,(H,11,12);2*1H
InChIKeyYDGLERUDCCTHKG-UHFFFAOYSA-N
XLogP1.86
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-cyclobutyl-1H-pyrazol-5-yl)piperidine
CID 115024346
5-fluoro-4-pyrrolidin-3-yl-1H-pyrazole
CID 139344016
4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine
CID 115053603
1-[1-(5-cyclopropyl-1H-pyrazol-4-yl)ethyl]piperazine
CID 83889597
(4-methylpiperazin-1-yl)-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone
CID 46278483
4-(1H-1,2,4-triazol-5-yl)piperidine;dihydrochloride
CID 71299989
2-chloro-5-fluoro-4-piperidin-4-ylpyrimidine
CID 170985227
4-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]piperidine;hydrochloride
CID 90169798
(3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 125171992
5-cyclobutyl-4-(trifluoromethyl)-1H-pyrazole
CID 125456183
4-chloro-5-cyclobutyl-1H-pyrazole
CID 119055024
5-fluoro-4-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;dihydrochloride
CID 162748849

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-1H-pyrazol-5-yl)piperidine;dihydrochloride?
The IUPAC name of 4-(4-fluoro-1H-pyrazol-5-yl)piperidine;dihydrochloride (CID 155970629) is 4-(4-fluoro-1H-pyrazol-5-yl)piperidine;dihydrochloride.
What is the SMILES notation for 4-(4-fluoro-1H-pyrazol-5-yl)piperidine;dihydrochloride?
The canonical SMILES for 4-(4-fluoro-1H-pyrazol-5-yl)piperidine;dihydrochloride is Cl.Cl.Fc1cn[nH]c1C1CCNCC1.
What is the InChIKey of 4-(4-fluoro-1H-pyrazol-5-yl)piperidine;dihydrochloride?
The InChIKey is YDGLERUDCCTHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3.2ClH/c9-7-5-11-12-8(7)6-1-3-10-4-2-6;;/h5-6,10H,1-4H2,(H,11,12);2*1H.
What are the key properties of 4-(4-fluoro-1H-pyrazol-5-yl)piperidine;dihydrochloride?
4-(4-fluoro-1H-pyrazol-5-yl)piperidine;dihydrochloride has a molecular weight of 242.12 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-1H-pyrazol-5-yl)piperidine;dihydrochloride is sourced from PubChem (CID 155970629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).