4-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxypiperidine;hydrochloride

C15H19ClFN3O — CID 164576545

IUPAC4-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxypiperidine;hydrochloride
SMILESCl.Fc1cccc(Cn2cc(OC3CCNCC3)cn2)c1
InChIInChI=1S/C15H18FN3O.ClH/c16-13-3-1-2-12(8-13)10-19-11-15(9-18-19)20-14-4-6-17-7-5-14;/h1-3,8-9,11,14,17H,4-7,10H2;1H
InChIKeySTXCGRGSBWVPAS-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.62
Rot. Bonds4

About 4-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxypiperidine;hydrochloride

4-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxypiperidine;hydrochloride (PubChem CID 164576545) has the molecular formula C15H19ClFN3O and a molecular weight of 311.79 g/mol. Its IUPAC name is 4-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxypiperidine;hydrochloride.

Molecular Properties

Compound Name4-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxypiperidine;hydrochloride
PubChem CID164576545
Molecular FormulaC15H19ClFN3O
Molecular Weight311.79 g/mol
Exact Mass311.12
IUPAC Name4-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxypiperidine;hydrochloride
SMILESCl.Fc1cccc(Cn2cc(OC3CCNCC3)cn2)c1
InChIInChI=1S/C15H18FN3O.ClH/c16-13-3-1-2-12(8-13)10-19-11-15(9-18-19)20-14-4-6-17-7-5-14;/h1-3,8-9,11,14,17H,4-7,10H2;1H
InChIKeySTXCGRGSBWVPAS-UHFFFAOYSA-N
XLogP2.62
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxyethanamine;hydrochloride
CID 164576523
4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxypiperidine
CID 174287924
1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride
CID 53422102
3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]aniline
CID 63338628
(3aR,7aS)-2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 17023597
4-[(3-fluorophenyl)methyl]-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride
CID 154878962
1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62730113
1-benzyl-4-(oxan-3-yloxy)pyrazole
CID 117233868
3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 63279067
4-(azetidin-3-yloxy)-1-(2-phenylethyl)pyrazole
CID 164885760
(3aR,4R,7R,7aS)-2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 98332382
5-chloro-4-cyclohexyloxy-1-[(3-fluorophenyl)methyl]pyrazole
CID 117232551

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxypiperidine;hydrochloride?
The IUPAC name of 4-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxypiperidine;hydrochloride (CID 164576545) is 4-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxypiperidine;hydrochloride.
What is the SMILES notation for 4-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxypiperidine;hydrochloride?
The canonical SMILES for 4-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxypiperidine;hydrochloride is Cl.Fc1cccc(Cn2cc(OC3CCNCC3)cn2)c1.
What is the InChIKey of 4-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxypiperidine;hydrochloride?
The InChIKey is STXCGRGSBWVPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O.ClH/c16-13-3-1-2-12(8-13)10-19-11-15(9-18-19)20-14-4-6-17-7-5-14;/h1-3,8-9,11,14,17H,4-7,10H2;1H.
What are the key properties of 4-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxypiperidine;hydrochloride?
4-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxypiperidine;hydrochloride has a molecular weight of 311.79 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]oxypiperidine;hydrochloride is sourced from PubChem (CID 164576545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).