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

C18H25N3 — CID 103573550

IUPAC3-benzyl-4-(1-propylpyrazol-4-yl)piperidine
SMILESCCCn1cc(C2CCNCC2Cc2ccccc2)cn1
InChIInChI=1S/C18H25N3/c1-2-10-21-14-17(13-20-21)18-8-9-19-12-16(18)11-15-6-4-3-5-7-15/h3-7,13-14,16,18-19H,2,8-12H2,1H3
InChIKeyULHXBJRRKFZXIK-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.23
Rot. Bonds5

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

3-benzyl-4-(1-propylpyrazol-4-yl)piperidine (PubChem CID 103573550) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-benzyl-4-(1-propylpyrazol-4-yl)piperidine.

Molecular Properties

Compound Name3-benzyl-4-(1-propylpyrazol-4-yl)piperidine
PubChem CID103573550
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name3-benzyl-4-(1-propylpyrazol-4-yl)piperidine
SMILESCCCn1cc(C2CCNCC2Cc2ccccc2)cn1
InChIInChI=1S/C18H25N3/c1-2-10-21-14-17(13-20-21)18-8-9-19-12-16(18)11-15-6-4-3-5-7-15/h3-7,13-14,16,18-19H,2,8-12H2,1H3
InChIKeyULHXBJRRKFZXIK-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.23
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-propylpyrazol-4-yl)piperidine?
The IUPAC name of 3-benzyl-4-(1-propylpyrazol-4-yl)piperidine (CID 103573550) is 3-benzyl-4-(1-propylpyrazol-4-yl)piperidine.
What is the SMILES notation for 3-benzyl-4-(1-propylpyrazol-4-yl)piperidine?
The canonical SMILES for 3-benzyl-4-(1-propylpyrazol-4-yl)piperidine is CCCn1cc(C2CCNCC2Cc2ccccc2)cn1.
What is the InChIKey of 3-benzyl-4-(1-propylpyrazol-4-yl)piperidine?
The InChIKey is ULHXBJRRKFZXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-10-21-14-17(13-20-21)18-8-9-19-12-16(18)11-15-6-4-3-5-7-15/h3-7,13-14,16,18-19H,2,8-12H2,1H3.
What are the key properties of 3-benzyl-4-(1-propylpyrazol-4-yl)piperidine?
3-benzyl-4-(1-propylpyrazol-4-yl)piperidine has a molecular weight of 283.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-(1-propylpyrazol-4-yl)piperidine is sourced from PubChem (CID 103573550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).