1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(1H-pyrazol-5-yl)piperidine

C18H23N3O — CID 74250041

IUPAC1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(1H-pyrazol-5-yl)piperidine
SMILESCOc1ccccc1/C=C/CN1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C18H23N3O/c1-22-18-7-3-2-5-16(18)6-4-12-21-13-9-15(10-14-21)17-8-11-19-20-17/h2-8,11,15H,9-10,12-14H2,1H3,(H,19,20)/b6-4+
InChIKeyYLFCSJFONPMMKA-GQCTYLIASA-N
MW297.40 g/mol
LogP3.31
Rot. Bonds5

About 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(1H-pyrazol-5-yl)piperidine

1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(1H-pyrazol-5-yl)piperidine (PubChem CID 74250041) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(1H-pyrazol-5-yl)piperidine
PubChem CID74250041
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(1H-pyrazol-5-yl)piperidine
SMILESCOc1ccccc1/C=C/CN1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C18H23N3O/c1-22-18-7-3-2-5-16(18)6-4-12-21-13-9-15(10-14-21)17-8-11-19-20-17/h2-8,11,15H,9-10,12-14H2,1H3,(H,19,20)/b6-4+
InChIKeyYLFCSJFONPMMKA-GQCTYLIASA-N
XLogP3.31
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(1H-pyrazol-5-yl)piperidine (CID 74250041) is 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(1H-pyrazol-5-yl)piperidine is COc1ccccc1/C=C/CN1CCC(c2ccn[nH]2)CC1.
What is the InChIKey of 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(1H-pyrazol-5-yl)piperidine?
The InChIKey is YLFCSJFONPMMKA-GQCTYLIASA-N. The full InChI is InChI=1S/C18H23N3O/c1-22-18-7-3-2-5-16(18)6-4-12-21-13-9-15(10-14-21)17-8-11-19-20-17/h2-8,11,15H,9-10,12-14H2,1H3,(H,19,20)/b6-4+.
What are the key properties of 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(1H-pyrazol-5-yl)piperidine?
1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(1H-pyrazol-5-yl)piperidine has a molecular weight of 297.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 74250041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).