1-benzyl-4-(5-methyl-1H-pyrazol-3-yl)piperidine

C16H21N3 — CID 10587140

IUPAC1-benzyl-4-(5-methyl-1H-pyrazol-3-yl)piperidine
SMILESCc1cc(C2CCN(Cc3ccccc3)CC2)n[nH]1
InChIInChI=1S/C16H21N3/c1-13-11-16(18-17-13)15-7-9-19(10-8-15)12-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,17,18)
InChIKeyBRZAPKIDJOPKEJ-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.10
Rot. Bonds3

About 1-benzyl-4-(5-methyl-1H-pyrazol-3-yl)piperidine

1-benzyl-4-(5-methyl-1H-pyrazol-3-yl)piperidine (PubChem CID 10587140) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-benzyl-4-(5-methyl-1H-pyrazol-3-yl)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(5-methyl-1H-pyrazol-3-yl)piperidine
PubChem CID10587140
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-benzyl-4-(5-methyl-1H-pyrazol-3-yl)piperidine
SMILESCc1cc(C2CCN(Cc3ccccc3)CC2)n[nH]1
InChIInChI=1S/C16H21N3/c1-13-11-16(18-17-13)15-7-9-19(10-8-15)12-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,17,18)
InChIKeyBRZAPKIDJOPKEJ-UHFFFAOYSA-N
XLogP3.10
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(5-methyl-1H-pyrazol-3-yl)piperidine?
The IUPAC name of 1-benzyl-4-(5-methyl-1H-pyrazol-3-yl)piperidine (CID 10587140) is 1-benzyl-4-(5-methyl-1H-pyrazol-3-yl)piperidine.
What is the SMILES notation for 1-benzyl-4-(5-methyl-1H-pyrazol-3-yl)piperidine?
The canonical SMILES for 1-benzyl-4-(5-methyl-1H-pyrazol-3-yl)piperidine is Cc1cc(C2CCN(Cc3ccccc3)CC2)n[nH]1.
What is the InChIKey of 1-benzyl-4-(5-methyl-1H-pyrazol-3-yl)piperidine?
The InChIKey is BRZAPKIDJOPKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13-11-16(18-17-13)15-7-9-19(10-8-15)12-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,17,18).
What are the key properties of 1-benzyl-4-(5-methyl-1H-pyrazol-3-yl)piperidine?
1-benzyl-4-(5-methyl-1H-pyrazol-3-yl)piperidine has a molecular weight of 255.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(5-methyl-1H-pyrazol-3-yl)piperidine is sourced from PubChem (CID 10587140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).