1-tert-butyl-4-(3,4-dimethoxyphenyl)piperidine

C17H27NO2 — CID 58980319

IUPAC1-tert-butyl-4-(3,4-dimethoxyphenyl)piperidine
SMILESCOc1ccc(C2CCN(C(C)(C)C)CC2)cc1OC
InChIInChI=1S/C17H27NO2/c1-17(2,3)18-10-8-13(9-11-18)14-6-7-15(19-4)16(12-14)20-5/h6-7,12-13H,8-11H2,1-5H3
InChIKeyHARNTVZEILIWOI-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.68
Rot. Bonds3

About 1-tert-butyl-4-(3,4-dimethoxyphenyl)piperidine

1-tert-butyl-4-(3,4-dimethoxyphenyl)piperidine (PubChem CID 58980319) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-tert-butyl-4-(3,4-dimethoxyphenyl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-(3,4-dimethoxyphenyl)piperidine
PubChem CID58980319
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-tert-butyl-4-(3,4-dimethoxyphenyl)piperidine
SMILESCOc1ccc(C2CCN(C(C)(C)C)CC2)cc1OC
InChIInChI=1S/C17H27NO2/c1-17(2,3)18-10-8-13(9-11-18)14-6-7-15(19-4)16(12-14)20-5/h6-7,12-13H,8-11H2,1-5H3
InChIKeyHARNTVZEILIWOI-UHFFFAOYSA-N
XLogP3.68
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
1-tert-butyl-4-(4-methoxyphenyl)piperidine
CID 58245809
3-[4-(3,4-dimethoxyphenyl)piperidin-1-yl]propanenitrile
CID 94698512
1-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine
CID 156550920
4-(4-methoxy-3-methylphenyl)-1-methylpiperidine
CID 143502114
3-(3,4-dimethoxyphenyl)azetidine
CID 75355862
4-(3-chloro-4-methoxyphenyl)-1-methylpiperidine
CID 156561113
4-[(1R,2R,3S,4S)-2-(3,4-dimethoxyphenyl)-3,4-dimethylcyclobutyl]-1,2-dimethoxybenzene
CID 16756782
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
4-[(1S,2S,3R,4R)-2-(3,4-dimethoxyphenyl)-3,4-dimethylcyclobutyl]-1,2-dimethoxybenzene
CID 166441849
4-cyclopropyl-2-methoxy-1-methylbenzene;ethane
CID 168942546
2,5-bis(3,4-dimethoxyphenyl)oxolane
CID 13491508

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3,4-dimethoxyphenyl)piperidine?
The IUPAC name of 1-tert-butyl-4-(3,4-dimethoxyphenyl)piperidine (CID 58980319) is 1-tert-butyl-4-(3,4-dimethoxyphenyl)piperidine.
What is the SMILES notation for 1-tert-butyl-4-(3,4-dimethoxyphenyl)piperidine?
The canonical SMILES for 1-tert-butyl-4-(3,4-dimethoxyphenyl)piperidine is COc1ccc(C2CCN(C(C)(C)C)CC2)cc1OC.
What is the InChIKey of 1-tert-butyl-4-(3,4-dimethoxyphenyl)piperidine?
The InChIKey is HARNTVZEILIWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-17(2,3)18-10-8-13(9-11-18)14-6-7-15(19-4)16(12-14)20-5/h6-7,12-13H,8-11H2,1-5H3.
What are the key properties of 1-tert-butyl-4-(3,4-dimethoxyphenyl)piperidine?
1-tert-butyl-4-(3,4-dimethoxyphenyl)piperidine has a molecular weight of 277.41 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3,4-dimethoxyphenyl)piperidine is sourced from PubChem (CID 58980319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).