4-(4-methoxyphenyl)-1-(1H-pyrazol-5-yl)piperidine

C15H19N3O — CID 154678495

IUPAC4-(4-methoxyphenyl)-1-(1H-pyrazol-5-yl)piperidine
SMILESCOc1ccc(C2CCN(c3ccn[nH]3)CC2)cc1
InChIInChI=1S/C15H19N3O/c1-19-14-4-2-12(3-5-14)13-7-10-18(11-8-13)15-6-9-16-17-15/h2-6,9,13H,7-8,10-11H2,1H3,(H,16,17)
InChIKeyRCNWXBWZNGFDEK-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.80
Rot. Bonds3

About 4-(4-methoxyphenyl)-1-(1H-pyrazol-5-yl)piperidine

4-(4-methoxyphenyl)-1-(1H-pyrazol-5-yl)piperidine (PubChem CID 154678495) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-(1H-pyrazol-5-yl)piperidine
PubChem CID154678495
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-(4-methoxyphenyl)-1-(1H-pyrazol-5-yl)piperidine
SMILESCOc1ccc(C2CCN(c3ccn[nH]3)CC2)cc1
InChIInChI=1S/C15H19N3O/c1-19-14-4-2-12(3-5-14)13-7-10-18(11-8-13)15-6-9-16-17-15/h2-6,9,13H,7-8,10-11H2,1H3,(H,16,17)
InChIKeyRCNWXBWZNGFDEK-UHFFFAOYSA-N
XLogP2.80
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 4-(4-methoxyphenyl)-1-(1H-pyrazol-5-yl)piperidine (CID 154678495) is 4-(4-methoxyphenyl)-1-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 4-(4-methoxyphenyl)-1-(1H-pyrazol-5-yl)piperidine is COc1ccc(C2CCN(c3ccn[nH]3)CC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-(1H-pyrazol-5-yl)piperidine?
The InChIKey is RCNWXBWZNGFDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-14-4-2-12(3-5-14)13-7-10-18(11-8-13)15-6-9-16-17-15/h2-6,9,13H,7-8,10-11H2,1H3,(H,16,17).
What are the key properties of 4-(4-methoxyphenyl)-1-(1H-pyrazol-5-yl)piperidine?
4-(4-methoxyphenyl)-1-(1H-pyrazol-5-yl)piperidine has a molecular weight of 257.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 154678495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).