1-[2-(4-ethoxyphenoxy)ethyl]-3-(1H-pyrazol-5-yl)piperidine

C18H25N3O2 — CID 126770076

IUPAC1-[2-(4-ethoxyphenoxy)ethyl]-3-(1H-pyrazol-5-yl)piperidine
SMILESCCOc1ccc(OCCN2CCCC(c3ccn[nH]3)C2)cc1
InChIInChI=1S/C18H25N3O2/c1-2-22-16-5-7-17(8-6-16)23-13-12-21-11-3-4-15(14-21)18-9-10-19-20-18/h5-10,15H,2-4,11-14H2,1H3,(H,19,20)
InChIKeyFXUPZGHVGHNVOH-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.07
Rot. Bonds7

About 1-[2-(4-ethoxyphenoxy)ethyl]-3-(1H-pyrazol-5-yl)piperidine

1-[2-(4-ethoxyphenoxy)ethyl]-3-(1H-pyrazol-5-yl)piperidine (PubChem CID 126770076) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenoxy)ethyl]-3-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenoxy)ethyl]-3-(1H-pyrazol-5-yl)piperidine
PubChem CID126770076
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[2-(4-ethoxyphenoxy)ethyl]-3-(1H-pyrazol-5-yl)piperidine
SMILESCCOc1ccc(OCCN2CCCC(c3ccn[nH]3)C2)cc1
InChIInChI=1S/C18H25N3O2/c1-2-22-16-5-7-17(8-6-16)23-13-12-21-11-3-4-15(14-21)18-9-10-19-20-18/h5-10,15H,2-4,11-14H2,1H3,(H,19,20)
InChIKeyFXUPZGHVGHNVOH-UHFFFAOYSA-N
XLogP3.07
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3R)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazole
CID 124948771
2-ethoxy-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 95762195
3-(4-fluorophenoxy)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95768716
(3S)-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-3-(1H-pyrazol-5-yl)piperidine
CID 98768010
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915656
(3S)-1-[2-(4-fluorophenyl)ethyl]-3-(1H-pyrazol-5-yl)piperidine
CID 95845269
5-[1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrazole
CID 110258107
(3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933726
1-[(2-methylpyrazol-3-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 134696298
1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine
CID 124758004
6-methyl-3-[2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 91829573

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenoxy)ethyl]-3-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-[2-(4-ethoxyphenoxy)ethyl]-3-(1H-pyrazol-5-yl)piperidine (CID 126770076) is 1-[2-(4-ethoxyphenoxy)ethyl]-3-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-[2-(4-ethoxyphenoxy)ethyl]-3-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-[2-(4-ethoxyphenoxy)ethyl]-3-(1H-pyrazol-5-yl)piperidine is CCOc1ccc(OCCN2CCCC(c3ccn[nH]3)C2)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenoxy)ethyl]-3-(1H-pyrazol-5-yl)piperidine?
The InChIKey is FXUPZGHVGHNVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-2-22-16-5-7-17(8-6-16)23-13-12-21-11-3-4-15(14-21)18-9-10-19-20-18/h5-10,15H,2-4,11-14H2,1H3,(H,19,20).
What are the key properties of 1-[2-(4-ethoxyphenoxy)ethyl]-3-(1H-pyrazol-5-yl)piperidine?
1-[2-(4-ethoxyphenoxy)ethyl]-3-(1H-pyrazol-5-yl)piperidine has a molecular weight of 315.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenoxy)ethyl]-3-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 126770076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).