tert-butyl N-[2-(3,4-dimethylphenyl)piperidin-4-yl]carbamate

C18H28N2O2 — CID 165457170

IUPACtert-butyl N-[2-(3,4-dimethylphenyl)piperidin-4-yl]carbamate
SMILESCc1ccc(C2CC(NC(=O)OC(C)(C)C)CCN2)cc1C
InChIInChI=1S/C18H28N2O2/c1-12-6-7-14(10-13(12)2)16-11-15(8-9-19-16)20-17(21)22-18(3,4)5/h6-7,10,15-16,19H,8-9,11H2,1-5H3,(H,20,21)
InChIKeyRXLJERHJRMLCCP-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.62
Rot. Bonds2

About tert-butyl N-[2-(3,4-dimethylphenyl)piperidin-4-yl]carbamate

tert-butyl N-[2-(3,4-dimethylphenyl)piperidin-4-yl]carbamate (PubChem CID 165457170) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl N-[2-(3,4-dimethylphenyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,4-dimethylphenyl)piperidin-4-yl]carbamate
PubChem CID165457170
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nametert-butyl N-[2-(3,4-dimethylphenyl)piperidin-4-yl]carbamate
SMILESCc1ccc(C2CC(NC(=O)OC(C)(C)C)CCN2)cc1C
InChIInChI=1S/C18H28N2O2/c1-12-6-7-14(10-13(12)2)16-11-15(8-9-19-16)20-17(21)22-18(3,4)5/h6-7,10,15-16,19H,8-9,11H2,1-5H3,(H,20,21)
InChIKeyRXLJERHJRMLCCP-UHFFFAOYSA-N
XLogP3.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate
CID 68534539
tert-butyl N-[(2S,4R)-2-(2-fluoro-5-methylphenyl)piperidin-4-yl]carbamate
CID 176681990
tert-butyl N-[(1R,3S)-3-(5-amino-2-methylphenyl)cyclohexyl]carbamate
CID 125450247
tert-butyl N-[3-[(2R)-azetidin-2-yl]phenyl]carbamate
CID 130632560
tert-butyl N-[4-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]carbamate
CID 113240121
tert-butyl N-[3-(3-chloro-4-methylanilino)cyclohexyl]carbamate
CID 103719979
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1R,3S)-3-(3-methylphenyl)cyclohexyl]carbamate
CID 139378150
tert-butyl N-[(1R,3S)-3-(4-chlorophenyl)cyclohexyl]carbamate
CID 139378065
tert-butyl N-(2-bromo-5-piperidin-2-ylphenyl)carbamate
CID 117116356
tert-butyl N-[4-[(2S)-pyrrolidin-2-yl]phenyl]carbamate
CID 130779938
tert-butyl N-[(1S,3S)-3-[(4-tert-butylbenzoyl)amino]cyclohexyl]carbamate
CID 124675025

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,4-dimethylphenyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(3,4-dimethylphenyl)piperidin-4-yl]carbamate (CID 165457170) is tert-butyl N-[2-(3,4-dimethylphenyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3,4-dimethylphenyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3,4-dimethylphenyl)piperidin-4-yl]carbamate is Cc1ccc(C2CC(NC(=O)OC(C)(C)C)CCN2)cc1C.
What is the InChIKey of tert-butyl N-[2-(3,4-dimethylphenyl)piperidin-4-yl]carbamate?
The InChIKey is RXLJERHJRMLCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-12-6-7-14(10-13(12)2)16-11-15(8-9-19-16)20-17(21)22-18(3,4)5/h6-7,10,15-16,19H,8-9,11H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[2-(3,4-dimethylphenyl)piperidin-4-yl]carbamate?
tert-butyl N-[2-(3,4-dimethylphenyl)piperidin-4-yl]carbamate has a molecular weight of 304.43 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3,4-dimethylphenyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 165457170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).