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

C20H31NO3 — CID 143255517

IUPACtert-butyl 4-[2-(4-ethylphenoxy)ethyl]piperidine-1-carboxylate
SMILESCCc1ccc(OCCC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C20H31NO3/c1-5-16-6-8-18(9-7-16)23-15-12-17-10-13-21(14-11-17)19(22)24-20(2,3)4/h6-9,17H,5,10-15H2,1-4H3
InChIKeyNIQPQVGDVVJIGJ-UHFFFAOYSA-N
MW333.47 g/mol
LogP4.66
Rot. Bonds5

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

tert-butyl 4-[2-(4-ethylphenoxy)ethyl]piperidine-1-carboxylate (PubChem CID 143255517) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is tert-butyl 4-[2-(4-ethylphenoxy)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(4-ethylphenoxy)ethyl]piperidine-1-carboxylate
PubChem CID143255517
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Nametert-butyl 4-[2-(4-ethylphenoxy)ethyl]piperidine-1-carboxylate
SMILESCCc1ccc(OCCC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C20H31NO3/c1-5-16-6-8-18(9-7-16)23-15-12-17-10-13-21(14-11-17)19(22)24-20(2,3)4/h6-9,17H,5,10-15H2,1-4H3
InChIKeyNIQPQVGDVVJIGJ-UHFFFAOYSA-N
XLogP4.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 58808104
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100
tert-butyl 4-[2-(4-cyanophenoxy)ethyl]piperidine-1-carboxylate
CID 23034009
tert-butyl 4-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]piperidine-1-carboxylate
CID 52544737
tert-butyl 4-[2-(3,4-dinitrophenoxy)ethyl]piperidine-1-carboxylate
CID 86612986
tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine
CID 123647865
tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate
CID 129162455
2-[3-[4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
CID 10526731
(2S)-2-(butylsulfonylamino)-5-[4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phenyl]pentanoic acid
CID 54054083
tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate
CID 65142715
tert-butyl 4-[3-[4-(4-hydroxy-3,3-dimethylbutanoyl)phenoxy]propyl]piperidine-1-carboxylate
CID 159636919
2-[(5R)-4,5-dihydro-1,2-oxazol-5-yl]-2-[4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phenyl]acetic acid
CID 67644896

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(4-ethylphenoxy)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(4-ethylphenoxy)ethyl]piperidine-1-carboxylate (CID 143255517) is tert-butyl 4-[2-(4-ethylphenoxy)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(4-ethylphenoxy)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(4-ethylphenoxy)ethyl]piperidine-1-carboxylate is CCc1ccc(OCCC2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-[2-(4-ethylphenoxy)ethyl]piperidine-1-carboxylate?
The InChIKey is NIQPQVGDVVJIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-5-16-6-8-18(9-7-16)23-15-12-17-10-13-21(14-11-17)19(22)24-20(2,3)4/h6-9,17H,5,10-15H2,1-4H3.
What are the key properties of tert-butyl 4-[2-(4-ethylphenoxy)ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(4-ethylphenoxy)ethyl]piperidine-1-carboxylate has a molecular weight of 333.47 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(4-ethylphenoxy)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 143255517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).