4-[2-(4-phenylpyrazol-1-yl)ethyl]piperidine

C16H21N3 — CID 55113250

IUPAC4-[2-(4-phenylpyrazol-1-yl)ethyl]piperidine
SMILESc1ccc(-c2cnn(CCC3CCNCC3)c2)cc1
InChIInChI=1S/C16H21N3/c1-2-4-15(5-3-1)16-12-18-19(13-16)11-8-14-6-9-17-10-7-14/h1-5,12-14,17H,6-11H2
InChIKeyKMWPKCFZDCBFNN-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.94
Rot. Bonds4

About 4-[2-(4-phenylpyrazol-1-yl)ethyl]piperidine

4-[2-(4-phenylpyrazol-1-yl)ethyl]piperidine (PubChem CID 55113250) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-[2-(4-phenylpyrazol-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(4-phenylpyrazol-1-yl)ethyl]piperidine
PubChem CID55113250
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-[2-(4-phenylpyrazol-1-yl)ethyl]piperidine
SMILESc1ccc(-c2cnn(CCC3CCNCC3)c2)cc1
InChIInChI=1S/C16H21N3/c1-2-4-15(5-3-1)16-12-18-19(13-16)11-8-14-6-9-17-10-7-14/h1-5,12-14,17H,6-11H2
InChIKeyKMWPKCFZDCBFNN-UHFFFAOYSA-N
XLogP2.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-phenylpyrazol-1-yl)ethyl]piperidine?
The IUPAC name of 4-[2-(4-phenylpyrazol-1-yl)ethyl]piperidine (CID 55113250) is 4-[2-(4-phenylpyrazol-1-yl)ethyl]piperidine.
What is the SMILES notation for 4-[2-(4-phenylpyrazol-1-yl)ethyl]piperidine?
The canonical SMILES for 4-[2-(4-phenylpyrazol-1-yl)ethyl]piperidine is c1ccc(-c2cnn(CCC3CCNCC3)c2)cc1.
What is the InChIKey of 4-[2-(4-phenylpyrazol-1-yl)ethyl]piperidine?
The InChIKey is KMWPKCFZDCBFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-4-15(5-3-1)16-12-18-19(13-16)11-8-14-6-9-17-10-7-14/h1-5,12-14,17H,6-11H2.
What are the key properties of 4-[2-(4-phenylpyrazol-1-yl)ethyl]piperidine?
4-[2-(4-phenylpyrazol-1-yl)ethyl]piperidine has a molecular weight of 255.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-phenylpyrazol-1-yl)ethyl]piperidine is sourced from PubChem (CID 55113250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).