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

C16H21N3 — CID 79321270

IUPAC3-benzyl-4-(1-methylpyrazol-4-yl)piperidine
SMILESCn1cc(C2CCNCC2Cc2ccccc2)cn1
InChIInChI=1S/C16H21N3/c1-19-12-15(11-18-19)16-7-8-17-10-14(16)9-13-5-3-2-4-6-13/h2-6,11-12,14,16-17H,7-10H2,1H3
InChIKeyQIBOKWHMOPDYHC-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.36
Rot. Bonds3

About 3-benzyl-4-(1-methylpyrazol-4-yl)piperidine

3-benzyl-4-(1-methylpyrazol-4-yl)piperidine (PubChem CID 79321270) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 3-benzyl-4-(1-methylpyrazol-4-yl)piperidine.

Molecular Properties

Compound Name3-benzyl-4-(1-methylpyrazol-4-yl)piperidine
PubChem CID79321270
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name3-benzyl-4-(1-methylpyrazol-4-yl)piperidine
SMILESCn1cc(C2CCNCC2Cc2ccccc2)cn1
InChIInChI=1S/C16H21N3/c1-19-12-15(11-18-19)16-7-8-17-10-14(16)9-13-5-3-2-4-6-13/h2-6,11-12,14,16-17H,7-10H2,1H3
InChIKeyQIBOKWHMOPDYHC-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-(1-methylpyrazol-4-yl)piperidine?
The IUPAC name of 3-benzyl-4-(1-methylpyrazol-4-yl)piperidine (CID 79321270) is 3-benzyl-4-(1-methylpyrazol-4-yl)piperidine.
What is the SMILES notation for 3-benzyl-4-(1-methylpyrazol-4-yl)piperidine?
The canonical SMILES for 3-benzyl-4-(1-methylpyrazol-4-yl)piperidine is Cn1cc(C2CCNCC2Cc2ccccc2)cn1.
What is the InChIKey of 3-benzyl-4-(1-methylpyrazol-4-yl)piperidine?
The InChIKey is QIBOKWHMOPDYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-19-12-15(11-18-19)16-7-8-17-10-14(16)9-13-5-3-2-4-6-13/h2-6,11-12,14,16-17H,7-10H2,1H3.
What are the key properties of 3-benzyl-4-(1-methylpyrazol-4-yl)piperidine?
3-benzyl-4-(1-methylpyrazol-4-yl)piperidine has a molecular weight of 255.37 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-(1-methylpyrazol-4-yl)piperidine is sourced from PubChem (CID 79321270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).