4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(naphthalen-1-ylmethyl)piperidine

C22H27N3 — CID 71781224

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(naphthalen-1-ylmethyl)piperidine
SMILESCc1cc(C)n(CC2CCN(Cc3cccc4ccccc34)CC2)n1
InChIInChI=1S/C22H27N3/c1-17-14-18(2)25(23-17)15-19-10-12-24(13-11-19)16-21-8-5-7-20-6-3-4-9-22(20)21/h3-9,14,19H,10-13,15-16H2,1-2H3
InChIKeyKGTASYDBHRMMIA-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.57
Rot. Bonds4

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(naphthalen-1-ylmethyl)piperidine

4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(naphthalen-1-ylmethyl)piperidine (PubChem CID 71781224) has the molecular formula C22H27N3 and a molecular weight of 333.48 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(naphthalen-1-ylmethyl)piperidine.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(naphthalen-1-ylmethyl)piperidine
PubChem CID71781224
Molecular FormulaC22H27N3
Molecular Weight333.48 g/mol
Exact Mass333.22
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(naphthalen-1-ylmethyl)piperidine
SMILESCc1cc(C)n(CC2CCN(Cc3cccc4ccccc34)CC2)n1
InChIInChI=1S/C22H27N3/c1-17-14-18(2)25(23-17)15-19-10-12-24(13-11-19)16-21-8-5-7-20-6-3-4-9-22(20)21/h3-9,14,19H,10-13,15-16H2,1-2H3
InChIKeyKGTASYDBHRMMIA-UHFFFAOYSA-N
XLogP4.57
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(naphthalen-1-ylmethyl)piperidine?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(naphthalen-1-ylmethyl)piperidine (CID 71781224) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(naphthalen-1-ylmethyl)piperidine.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(naphthalen-1-ylmethyl)piperidine?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(naphthalen-1-ylmethyl)piperidine is Cc1cc(C)n(CC2CCN(Cc3cccc4ccccc34)CC2)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(naphthalen-1-ylmethyl)piperidine?
The InChIKey is KGTASYDBHRMMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3/c1-17-14-18(2)25(23-17)15-19-10-12-24(13-11-19)16-21-8-5-7-20-6-3-4-9-22(20)21/h3-9,14,19H,10-13,15-16H2,1-2H3.
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(naphthalen-1-ylmethyl)piperidine?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(naphthalen-1-ylmethyl)piperidine has a molecular weight of 333.48 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(naphthalen-1-ylmethyl)piperidine is sourced from PubChem (CID 71781224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).