tert-butyl 3-[2-amino-1-(4-ethylphenyl)ethyl]piperidine-1-carboxylate

C20H32N2O2 — CID 83973003

IUPACtert-butyl 3-[2-amino-1-(4-ethylphenyl)ethyl]piperidine-1-carboxylate
SMILESCCc1ccc(C(CN)C2CCCN(C(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C20H32N2O2/c1-5-15-8-10-16(11-9-15)18(13-21)17-7-6-12-22(14-17)19(23)24-20(2,3)4/h8-11,17-18H,5-7,12-14,21H2,1-4H3
InChIKeyALPSUDLSQFOHNJ-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.94
Rot. Bonds4

About tert-butyl 3-[2-amino-1-(4-ethylphenyl)ethyl]piperidine-1-carboxylate

tert-butyl 3-[2-amino-1-(4-ethylphenyl)ethyl]piperidine-1-carboxylate (PubChem CID 83973003) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is tert-butyl 3-[2-amino-1-(4-ethylphenyl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-amino-1-(4-ethylphenyl)ethyl]piperidine-1-carboxylate
PubChem CID83973003
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Nametert-butyl 3-[2-amino-1-(4-ethylphenyl)ethyl]piperidine-1-carboxylate
SMILESCCc1ccc(C(CN)C2CCCN(C(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C20H32N2O2/c1-5-15-8-10-16(11-9-15)18(13-21)17-7-6-12-22(14-17)19(23)24-20(2,3)4/h8-11,17-18H,5-7,12-14,21H2,1-4H3
InChIKeyALPSUDLSQFOHNJ-UHFFFAOYSA-N
XLogP3.94
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[2-amino-1-(3,5-dimethylphenyl)ethyl]piperidine-1-carboxylate
CID 83977012
tert-butyl 4-[2-amino-1-(4-propan-2-ylphenyl)ethyl]piperidine-1-carboxylate
CID 112538815
tert-butyl 3-[2-amino-1-(2-methoxy-5-methylphenyl)ethyl]piperidine-1-carboxylate
CID 112538964
tert-butyl 3-[(4-ethylphenyl)-sulfinooxymethyl]pyrrolidine-1-carboxylate
CID 174865805
4-[fluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]benzoic acid
CID 83855983
3-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
CID 83489023
tert-butyl 3-[amino(phenyl)methyl]piperidine-1-carboxylate
CID 102537949
4-[hydroxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]benzoic acid
CID 83855984
tert-butyl 3-[hydroxy-(4-methoxyphenyl)methyl]piperidine-1-carboxylate
CID 73304645
tert-butyl 3-[1-(3-chlorophenyl)ethyl]piperidine-1-carboxylate
CID 143486993
tert-butyl 3-[1-(2-aminoethylamino)ethyl]piperidine-1-carboxylate
CID 63586966
tert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate
CID 82391180

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-amino-1-(4-ethylphenyl)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-amino-1-(4-ethylphenyl)ethyl]piperidine-1-carboxylate (CID 83973003) is tert-butyl 3-[2-amino-1-(4-ethylphenyl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-amino-1-(4-ethylphenyl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-amino-1-(4-ethylphenyl)ethyl]piperidine-1-carboxylate is CCc1ccc(C(CN)C2CCCN(C(=O)OC(C)(C)C)C2)cc1.
What is the InChIKey of tert-butyl 3-[2-amino-1-(4-ethylphenyl)ethyl]piperidine-1-carboxylate?
The InChIKey is ALPSUDLSQFOHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-5-15-8-10-16(11-9-15)18(13-21)17-7-6-12-22(14-17)19(23)24-20(2,3)4/h8-11,17-18H,5-7,12-14,21H2,1-4H3.
What are the key properties of tert-butyl 3-[2-amino-1-(4-ethylphenyl)ethyl]piperidine-1-carboxylate?
tert-butyl 3-[2-amino-1-(4-ethylphenyl)ethyl]piperidine-1-carboxylate has a molecular weight of 332.49 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-amino-1-(4-ethylphenyl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 83973003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).