4-[(5-tert-butyl-3-methylpyrazol-1-yl)methyl]-3,3-difluoro-1-methylpiperidine

C15H25F2N3 — CID 166507350

IUPAC4-[(5-tert-butyl-3-methylpyrazol-1-yl)methyl]-3,3-difluoro-1-methylpiperidine
SMILESCc1cc(C(C)(C)C)n(CC2CCN(C)CC2(F)F)n1
InChIInChI=1S/C15H25F2N3/c1-11-8-13(14(2,3)4)20(18-11)9-12-6-7-19(5)10-15(12,16)17/h8,12H,6-7,9-10H2,1-5H3
InChIKeyVAOZQSHYUUGVNT-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.08
Rot. Bonds2

About 4-[(5-tert-butyl-3-methylpyrazol-1-yl)methyl]-3,3-difluoro-1-methylpiperidine

4-[(5-tert-butyl-3-methylpyrazol-1-yl)methyl]-3,3-difluoro-1-methylpiperidine (PubChem CID 166507350) has the molecular formula C15H25F2N3 and a molecular weight of 285.38 g/mol. Its IUPAC name is 4-[(5-tert-butyl-3-methylpyrazol-1-yl)methyl]-3,3-difluoro-1-methylpiperidine.

Molecular Properties

Compound Name4-[(5-tert-butyl-3-methylpyrazol-1-yl)methyl]-3,3-difluoro-1-methylpiperidine
PubChem CID166507350
Molecular FormulaC15H25F2N3
Molecular Weight285.38 g/mol
Exact Mass285.20
IUPAC Name4-[(5-tert-butyl-3-methylpyrazol-1-yl)methyl]-3,3-difluoro-1-methylpiperidine
SMILESCc1cc(C(C)(C)C)n(CC2CCN(C)CC2(F)F)n1
InChIInChI=1S/C15H25F2N3/c1-11-8-13(14(2,3)4)20(18-11)9-12-6-7-19(5)10-15(12,16)17/h8,12H,6-7,9-10H2,1-5H3
InChIKeyVAOZQSHYUUGVNT-UHFFFAOYSA-N
XLogP3.08
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-tert-butyl-3-methylpyrazol-1-yl)methyl]-3,3-difluoro-1-methylpiperidine?
The IUPAC name of 4-[(5-tert-butyl-3-methylpyrazol-1-yl)methyl]-3,3-difluoro-1-methylpiperidine (CID 166507350) is 4-[(5-tert-butyl-3-methylpyrazol-1-yl)methyl]-3,3-difluoro-1-methylpiperidine.
What is the SMILES notation for 4-[(5-tert-butyl-3-methylpyrazol-1-yl)methyl]-3,3-difluoro-1-methylpiperidine?
The canonical SMILES for 4-[(5-tert-butyl-3-methylpyrazol-1-yl)methyl]-3,3-difluoro-1-methylpiperidine is Cc1cc(C(C)(C)C)n(CC2CCN(C)CC2(F)F)n1.
What is the InChIKey of 4-[(5-tert-butyl-3-methylpyrazol-1-yl)methyl]-3,3-difluoro-1-methylpiperidine?
The InChIKey is VAOZQSHYUUGVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2N3/c1-11-8-13(14(2,3)4)20(18-11)9-12-6-7-19(5)10-15(12,16)17/h8,12H,6-7,9-10H2,1-5H3.
What are the key properties of 4-[(5-tert-butyl-3-methylpyrazol-1-yl)methyl]-3,3-difluoro-1-methylpiperidine?
4-[(5-tert-butyl-3-methylpyrazol-1-yl)methyl]-3,3-difluoro-1-methylpiperidine has a molecular weight of 285.38 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-tert-butyl-3-methylpyrazol-1-yl)methyl]-3,3-difluoro-1-methylpiperidine is sourced from PubChem (CID 166507350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).