tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate

C19H29NO2 — CID 65142715

IUPACtert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate
SMILESCc1ccc(CCC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H29NO2/c1-15-5-7-16(8-6-15)9-10-17-11-13-20(14-12-17)18(21)22-19(2,3)4/h5-8,17H,9-14H2,1-4H3
InChIKeyWBUQMBMWGGHBQX-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.57
Rot. Bonds3

About tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate (PubChem CID 65142715) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate
PubChem CID65142715
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Nametert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate
SMILESCc1ccc(CCC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H29NO2/c1-15-5-7-16(8-6-15)9-10-17-11-13-20(14-12-17)18(21)22-19(2,3)4/h5-8,17H,9-14H2,1-4H3
InChIKeyWBUQMBMWGGHBQX-UHFFFAOYSA-N
XLogP4.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
tert-butyl 4-[2-(4-cyclopropylphenyl)ethyl]piperidine-1-carboxylate
CID 134385902
tert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate
CID 174174191
tert-butyl 4-[2-(4-ethynylphenyl)ethyl]piperidine-1-carboxylate
CID 118525540
tert-butyl (3S)-3-[2-(4-aminophenyl)ethyl]pyrrolidine-1-carboxylate
CID 67239593
tert-butyl 4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate
CID 19796267
tert-butyl 4-[3-(4-methylsulfanylphenyl)propyl]piperidine-1-carboxylate
CID 143388255
3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]benzoic acid
CID 57421826
tert-butyl 4-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]piperidine-1-carboxylate
CID 52544737
[(1S,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 51928092
[(1R,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 51928091
tert-butyl 4-[(N,4-dimethylanilino)methyl]piperidine-1-carboxylate;ethane
CID 156860747

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate (CID 65142715) is tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate is Cc1ccc(CCC2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate?
The InChIKey is WBUQMBMWGGHBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-15-5-7-16(8-6-15)9-10-17-11-13-20(14-12-17)18(21)22-19(2,3)4/h5-8,17H,9-14H2,1-4H3.
What are the key properties of tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate has a molecular weight of 303.45 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 65142715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).