4-(4-benzyl-1-methylpyrazol-5-yl)piperidine

C16H21N3 — CID 18686313

IUPAC4-(4-benzyl-1-methylpyrazol-5-yl)piperidine
SMILESCn1ncc(Cc2ccccc2)c1C1CCNCC1
InChIInChI=1S/C16H21N3/c1-19-16(14-7-9-17-10-8-14)15(12-18-19)11-13-5-3-2-4-6-13/h2-6,12,14,17H,7-11H2,1H3
InChIKeyYQYTZBUVLDJDNX-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.48
Rot. Bonds3

About 4-(4-benzyl-1-methylpyrazol-5-yl)piperidine

4-(4-benzyl-1-methylpyrazol-5-yl)piperidine (PubChem CID 18686313) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-(4-benzyl-1-methylpyrazol-5-yl)piperidine.

Molecular Properties

Compound Name4-(4-benzyl-1-methylpyrazol-5-yl)piperidine
PubChem CID18686313
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-(4-benzyl-1-methylpyrazol-5-yl)piperidine
SMILESCn1ncc(Cc2ccccc2)c1C1CCNCC1
InChIInChI=1S/C16H21N3/c1-19-16(14-7-9-17-10-8-14)15(12-18-19)11-13-5-3-2-4-6-13/h2-6,12,14,17H,7-11H2,1H3
InChIKeyYQYTZBUVLDJDNX-UHFFFAOYSA-N
XLogP2.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzyl-1-methylpyrazol-5-yl)piperidine?
The IUPAC name of 4-(4-benzyl-1-methylpyrazol-5-yl)piperidine (CID 18686313) is 4-(4-benzyl-1-methylpyrazol-5-yl)piperidine.
What is the SMILES notation for 4-(4-benzyl-1-methylpyrazol-5-yl)piperidine?
The canonical SMILES for 4-(4-benzyl-1-methylpyrazol-5-yl)piperidine is Cn1ncc(Cc2ccccc2)c1C1CCNCC1.
What is the InChIKey of 4-(4-benzyl-1-methylpyrazol-5-yl)piperidine?
The InChIKey is YQYTZBUVLDJDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-19-16(14-7-9-17-10-8-14)15(12-18-19)11-13-5-3-2-4-6-13/h2-6,12,14,17H,7-11H2,1H3.
What are the key properties of 4-(4-benzyl-1-methylpyrazol-5-yl)piperidine?
4-(4-benzyl-1-methylpyrazol-5-yl)piperidine has a molecular weight of 255.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzyl-1-methylpyrazol-5-yl)piperidine is sourced from PubChem (CID 18686313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).