4-(4-tert-butylphenyl)-1,4-dimethylpiperidine

C17H27N — CID 118133394

IUPAC4-(4-tert-butylphenyl)-1,4-dimethylpiperidine
SMILESCN1CCC(C)(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H27N/c1-16(2,3)14-6-8-15(9-7-14)17(4)10-12-18(5)13-11-17/h6-9H,10-13H2,1-5H3
InChIKeyVSZMHVBQWINKRY-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.97
Rot. Bonds1

About 4-(4-tert-butylphenyl)-1,4-dimethylpiperidine

4-(4-tert-butylphenyl)-1,4-dimethylpiperidine (PubChem CID 118133394) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-1,4-dimethylpiperidine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-1,4-dimethylpiperidine
PubChem CID118133394
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name4-(4-tert-butylphenyl)-1,4-dimethylpiperidine
SMILESCN1CCC(C)(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H27N/c1-16(2,3)14-6-8-15(9-7-14)17(4)10-12-18(5)13-11-17/h6-9H,10-13H2,1-5H3
InChIKeyVSZMHVBQWINKRY-UHFFFAOYSA-N
XLogP3.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 4-(4-tert-butylphenyl)-4-methylpiperidine-1-carboxylate
CID 129156425
2-[4-(1-methylcyclopropyl)phenyl]propane-2-thiol
CID 123237459
2-(4-tert-butylphenyl)-8-methyl-2,8-diazaspiro[4.5]decane
CID 168755787
4-[(4-tert-butylphenyl)methyl]-1-methylpiperidin-4-ol
CID 65146689
1-chloro-3-[4-(1,4-dimethylpiperidin-4-yl)anilino]propan-2-ol
CID 168640106
azane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene
CID 66801661
1,4-dimethyl-4-[4-[4-[4-[5,5,5-trifluoro-3-methyl-4-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylpentan-2-yl]phenyl]phenyl]phenyl]piperidine
CID 162606459
6-tert-butyl-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 176615898
6-tert-butyl-1'-methylspiro[1,2-dihydroindole-3,4'-piperidine]
CID 83853408
4-(4-tert-butylphenyl)-4-methylpyrrolidin-2-one
CID 66106076
1-(4-tert-butylphenyl)-4-(tritiomethyl)piperazine
CID 118688491
1,4-dimethyl-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 58364977

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-1,4-dimethylpiperidine?
The IUPAC name of 4-(4-tert-butylphenyl)-1,4-dimethylpiperidine (CID 118133394) is 4-(4-tert-butylphenyl)-1,4-dimethylpiperidine.
What is the SMILES notation for 4-(4-tert-butylphenyl)-1,4-dimethylpiperidine?
The canonical SMILES for 4-(4-tert-butylphenyl)-1,4-dimethylpiperidine is CN1CCC(C)(c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 4-(4-tert-butylphenyl)-1,4-dimethylpiperidine?
The InChIKey is VSZMHVBQWINKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-16(2,3)14-6-8-15(9-7-14)17(4)10-12-18(5)13-11-17/h6-9H,10-13H2,1-5H3.
What are the key properties of 4-(4-tert-butylphenyl)-1,4-dimethylpiperidine?
4-(4-tert-butylphenyl)-1,4-dimethylpiperidine has a molecular weight of 245.41 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-1,4-dimethylpiperidine is sourced from PubChem (CID 118133394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).