4-(4-phenylmethoxypyrazol-1-yl)piperidine;hydrochloride

C15H20ClN3O — CID 163407511

IUPAC4-(4-phenylmethoxypyrazol-1-yl)piperidine;hydrochloride
SMILESCl.c1ccc(COc2cnn(C3CCNCC3)c2)cc1
InChIInChI=1S/C15H19N3O.ClH/c1-2-4-13(5-3-1)12-19-15-10-17-18(11-15)14-6-8-16-9-7-14;/h1-5,10-11,14,16H,6-9,12H2;1H
InChIKeyGIHIFBOTBVQDMN-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.81
Rot. Bonds4

About 4-(4-phenylmethoxypyrazol-1-yl)piperidine;hydrochloride

4-(4-phenylmethoxypyrazol-1-yl)piperidine;hydrochloride (PubChem CID 163407511) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 4-(4-phenylmethoxypyrazol-1-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(4-phenylmethoxypyrazol-1-yl)piperidine;hydrochloride
PubChem CID163407511
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name4-(4-phenylmethoxypyrazol-1-yl)piperidine;hydrochloride
SMILESCl.c1ccc(COc2cnn(C3CCNCC3)c2)cc1
InChIInChI=1S/C15H19N3O.ClH/c1-2-4-13(5-3-1)12-19-15-10-17-18(11-15)14-6-8-16-9-7-14;/h1-5,10-11,14,16H,6-9,12H2;1H
InChIKeyGIHIFBOTBVQDMN-UHFFFAOYSA-N
XLogP2.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(3-chlorophenyl)methoxy]pyrazol-1-yl]piperidine
CID 163407517
1-cyclopentyl-4-[(3-fluorophenyl)methoxy]pyrazole
CID 117234033
1-cyclohexyl-4-[(3-fluorophenyl)methoxy]pyrazole
CID 117234039
1-methyl-4-phenylmethoxypyrazole
CID 84661432
4-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]pyrazol-1-yl]piperidine;hydrochloride
CID 68984463
1-cyclopentyl-4-[(2-methylphenyl)methoxy]pyrazole
CID 117234055
N-[2-(methylamino)-5-phenylmethoxybenzenecarboximidoyl]-1-piperidin-4-ylpyrazole-4-carboxamide
CID 173481026
[4-(phenoxymethyl)phenyl]-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 122183116
3-[(2-methylphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine
CID 175975741
4-(4-chloropyrazol-1-yl)piperidine;hydrochloride
CID 71758511
1-cyclohexyl-4-(furan-2-ylmethoxy)pyrazole
CID 117234155
4-(4-phenylmethoxyphenyl)sulfonylpiperidine
CID 59862358

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylmethoxypyrazol-1-yl)piperidine;hydrochloride?
The IUPAC name of 4-(4-phenylmethoxypyrazol-1-yl)piperidine;hydrochloride (CID 163407511) is 4-(4-phenylmethoxypyrazol-1-yl)piperidine;hydrochloride.
What is the SMILES notation for 4-(4-phenylmethoxypyrazol-1-yl)piperidine;hydrochloride?
The canonical SMILES for 4-(4-phenylmethoxypyrazol-1-yl)piperidine;hydrochloride is Cl.c1ccc(COc2cnn(C3CCNCC3)c2)cc1.
What is the InChIKey of 4-(4-phenylmethoxypyrazol-1-yl)piperidine;hydrochloride?
The InChIKey is GIHIFBOTBVQDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.ClH/c1-2-4-13(5-3-1)12-19-15-10-17-18(11-15)14-6-8-16-9-7-14;/h1-5,10-11,14,16H,6-9,12H2;1H.
What are the key properties of 4-(4-phenylmethoxypyrazol-1-yl)piperidine;hydrochloride?
4-(4-phenylmethoxypyrazol-1-yl)piperidine;hydrochloride has a molecular weight of 293.80 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylmethoxypyrazol-1-yl)piperidine;hydrochloride is sourced from PubChem (CID 163407511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).