4-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)piperidine

C18H25N3 — CID 110454841

IUPAC4-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)piperidine
SMILESCc1nn(C)c(C)c1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H25N3/c1-14-18(15(2)20(3)19-14)21-11-9-17(10-12-21)13-16-7-5-4-6-8-16/h4-8,17H,9-13H2,1-3H3
InChIKeyJDKGXQDSWHVVPZ-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.50
Rot. Bonds3

About 4-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)piperidine

4-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)piperidine (PubChem CID 110454841) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)piperidine.

Molecular Properties

Compound Name4-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)piperidine
PubChem CID110454841
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name4-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)piperidine
SMILESCc1nn(C)c(C)c1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H25N3/c1-14-18(15(2)20(3)19-14)21-11-9-17(10-12-21)13-16-7-5-4-6-8-16/h4-8,17H,9-13H2,1-3H3
InChIKeyJDKGXQDSWHVVPZ-UHFFFAOYSA-N
XLogP3.50
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 110695390
4-benzyl-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 52551408
4-benzyl-1-methylpiperidine;ethane
CID 142009767
4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
4-benzyl-1-(2-methyl-5-nitro-1,2,4-triazol-3-yl)piperidine
CID 3781447
(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 110685777
4-benzyl-1-methylazepane
CID 123177845
[2-(4-benzylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 62779816
4-benzyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 136580193
2-(4-benzylpiperidin-1-yl)-3-chloroaniline
CID 43346324
2-(4-benzylpiperidin-1-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 16653001
5-(4-benzylpiperidin-1-yl)-7-methyl-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidine
CID 20956815

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)piperidine?
The IUPAC name of 4-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)piperidine (CID 110454841) is 4-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)piperidine.
What is the SMILES notation for 4-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)piperidine?
The canonical SMILES for 4-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)piperidine is Cc1nn(C)c(C)c1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)piperidine?
The InChIKey is JDKGXQDSWHVVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14-18(15(2)20(3)19-14)21-11-9-17(10-12-21)13-16-7-5-4-6-8-16/h4-8,17H,9-13H2,1-3H3.
What are the key properties of 4-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)piperidine?
4-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)piperidine has a molecular weight of 283.42 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)piperidine is sourced from PubChem (CID 110454841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).