4-[4-(3-methoxyphenoxy)-5-methylpyrazol-1-yl]piperidine

C16H21N3O2 — CID 115055478

IUPAC4-[4-(3-methoxyphenoxy)-5-methylpyrazol-1-yl]piperidine
SMILESCOc1cccc(Oc2cnn(C3CCNCC3)c2C)c1
InChIInChI=1S/C16H21N3O2/c1-12-16(21-15-5-3-4-14(10-15)20-2)11-18-19(12)13-6-8-17-9-7-13/h3-5,10-11,13,17H,6-9H2,1-2H3
InChIKeyRLNLZAJJIXJGMH-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.92
Rot. Bonds4

About 4-[4-(3-methoxyphenoxy)-5-methylpyrazol-1-yl]piperidine

4-[4-(3-methoxyphenoxy)-5-methylpyrazol-1-yl]piperidine (PubChem CID 115055478) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[4-(3-methoxyphenoxy)-5-methylpyrazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[4-(3-methoxyphenoxy)-5-methylpyrazol-1-yl]piperidine
PubChem CID115055478
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-[4-(3-methoxyphenoxy)-5-methylpyrazol-1-yl]piperidine
SMILESCOc1cccc(Oc2cnn(C3CCNCC3)c2C)c1
InChIInChI=1S/C16H21N3O2/c1-12-16(21-15-5-3-4-14(10-15)20-2)11-18-19(12)13-6-8-17-9-7-13/h3-5,10-11,13,17H,6-9H2,1-2H3
InChIKeyRLNLZAJJIXJGMH-UHFFFAOYSA-N
XLogP2.92
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methoxyphenoxy)-5-methylpyrazol-1-yl]piperidine?
The IUPAC name of 4-[4-(3-methoxyphenoxy)-5-methylpyrazol-1-yl]piperidine (CID 115055478) is 4-[4-(3-methoxyphenoxy)-5-methylpyrazol-1-yl]piperidine.
What is the SMILES notation for 4-[4-(3-methoxyphenoxy)-5-methylpyrazol-1-yl]piperidine?
The canonical SMILES for 4-[4-(3-methoxyphenoxy)-5-methylpyrazol-1-yl]piperidine is COc1cccc(Oc2cnn(C3CCNCC3)c2C)c1.
What is the InChIKey of 4-[4-(3-methoxyphenoxy)-5-methylpyrazol-1-yl]piperidine?
The InChIKey is RLNLZAJJIXJGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-16(21-15-5-3-4-14(10-15)20-2)11-18-19(12)13-6-8-17-9-7-13/h3-5,10-11,13,17H,6-9H2,1-2H3.
What are the key properties of 4-[4-(3-methoxyphenoxy)-5-methylpyrazol-1-yl]piperidine?
4-[4-(3-methoxyphenoxy)-5-methylpyrazol-1-yl]piperidine has a molecular weight of 287.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methoxyphenoxy)-5-methylpyrazol-1-yl]piperidine is sourced from PubChem (CID 115055478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).