1-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]piperidine;hydrochloride

C22H26ClN3O — CID 3046905

IUPAC1-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]piperidine;hydrochloride
SMILESCl.c1ccc(-c2cn(-c3ccccc3)nc2OCCN2CCCCC2)cc1
InChIInChI=1S/C22H25N3O.ClH/c1-4-10-19(11-5-1)21-18-25(20-12-6-2-7-13-20)23-22(21)26-17-16-24-14-8-3-9-15-24;/h1-2,4-7,10-13,18H,3,8-9,14-17H2;1H
InChIKeySGESLIPPLBKQKZ-UHFFFAOYSA-N
MW383.92 g/mol
LogP4.83
Rot. Bonds6

About 1-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]piperidine;hydrochloride

1-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]piperidine;hydrochloride (PubChem CID 3046905) has the molecular formula C22H26ClN3O and a molecular weight of 383.92 g/mol. Its IUPAC name is 1-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]piperidine;hydrochloride
PubChem CID3046905
Molecular FormulaC22H26ClN3O
Molecular Weight383.92 g/mol
Exact Mass383.18
IUPAC Name1-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]piperidine;hydrochloride
SMILESCl.c1ccc(-c2cn(-c3ccccc3)nc2OCCN2CCCCC2)cc1
InChIInChI=1S/C22H25N3O.ClH/c1-4-10-19(11-5-1)21-18-25(20-12-6-2-7-13-20)23-22(21)26-17-16-24-14-8-3-9-15-24;/h1-2,4-7,10-13,18H,3,8-9,14-17H2;1H
InChIKeySGESLIPPLBKQKZ-UHFFFAOYSA-N
XLogP4.83
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

({1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl}methyl)methyl[(1-phenyl-1H-pyrazol-4-yl)methyl]amine
CID 26325235
3-methoxy-1-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidine
CID 16191202
3-(4-Fluoro-phenyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 44394687
1'-[(1-phenylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561338
2-ethyl-4-{[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}morpholine
CID 70728001
4-[2-(1-Naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
CID 71460636
(2R*,6S*)-4-{[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-2,6-dimethylmorpholine
CID 70765080
3-ethyl-4-{[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}morpholine
CID 70774445
4-(2-Methoxyphenyl)-1-phenylpyrazole
CID 21188006
Ethanamine, N,N-dimethyl-2-((1,4-diphenyl-1H-pyrazol-3-yl)oxy)-, monohydrochloride
CID 3046901
Ethanamine, N,N-diethyl-2-((1,4-diphenyl-1H-pyrazol-3-yl)oxy)-, monomethanesulfonate
CID 3046903
Morpholine, 4-(2-((1,4-diphenyl-1H-pyrazol-3-yl)oxy)ethyl)-, monohydrochloride
CID 3046907

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]piperidine;hydrochloride?
The IUPAC name of 1-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]piperidine;hydrochloride (CID 3046905) is 1-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]piperidine;hydrochloride?
The canonical SMILES for 1-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]piperidine;hydrochloride is Cl.c1ccc(-c2cn(-c3ccccc3)nc2OCCN2CCCCC2)cc1.
What is the InChIKey of 1-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]piperidine;hydrochloride?
The InChIKey is SGESLIPPLBKQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O.ClH/c1-4-10-19(11-5-1)21-18-25(20-12-6-2-7-13-20)23-22(21)26-17-16-24-14-8-3-9-15-24;/h1-2,4-7,10-13,18H,3,8-9,14-17H2;1H.
What are the key properties of 1-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]piperidine;hydrochloride?
1-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]piperidine;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]piperidine;hydrochloride is sourced from PubChem (CID 3046905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).