4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidine

C17H25Cl2N — CID 118657687

IUPAC4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidine
SMILESCC(C)(C)C1(C)CCN(Cc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C17H25Cl2N/c1-16(2,3)17(4)5-7-20(8-6-17)12-13-9-14(18)11-15(19)10-13/h9-11H,5-8,12H2,1-4H3
InChIKeyFQKWSJCLNCVTEK-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.64
Rot. Bonds2

About 4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidine

4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidine (PubChem CID 118657687) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is 4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidine.

Molecular Properties

Compound Name4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidine
PubChem CID118657687
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC Name4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidine
SMILESCC(C)(C)C1(C)CCN(Cc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C17H25Cl2N/c1-16(2,3)17(4)5-7-20(8-6-17)12-13-9-14(18)11-15(19)10-13/h9-11H,5-8,12H2,1-4H3
InChIKeyFQKWSJCLNCVTEK-UHFFFAOYSA-N
XLogP5.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.30
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidine?
The IUPAC name of 4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidine (CID 118657687) is 4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidine.
What is the SMILES notation for 4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidine?
The canonical SMILES for 4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidine is CC(C)(C)C1(C)CCN(Cc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidine?
The InChIKey is FQKWSJCLNCVTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-16(2,3)17(4)5-7-20(8-6-17)12-13-9-14(18)11-15(19)10-13/h9-11H,5-8,12H2,1-4H3.
What are the key properties of 4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidine?
4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidine has a molecular weight of 314.30 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(3,5-dichlorophenyl)methyl]-4-methylpiperidine is sourced from PubChem (CID 118657687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).