4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-(2-fluoroethyl)piperidine;4-tert-butyl-1-methylpiperidine;ethyl 2-tert-butylmorpholine-4-carboxylate;methyl 2-tert-butylmorpholine-4-carboxylate

C53H106FN5O6 — CID 163581471

IUPAC4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-(2-fluoroethyl)piperidine;4-tert-butyl-1-methylpiperidine;ethyl 2-tert-butylmorpholine-4-carboxylate;methyl 2-tert-butylmorpholine-4-carboxylate
SMILESCC(C)(C)C1CCN(CCF)CC1.CCN1CCC(C(C)(C)C)CC1.CCOC(=O)N1CCOC(C(C)(C)C)C1.CN1CCC(C(C)(C)C)CC1.COC(=O)N1CCOC(C(C)(C)C)C1
InChIInChI=1S/C11H22FN.C11H21NO3.C11H23N.C10H19NO3.C10H21N/c1-11(2,3)10-4-7-13(8-5-10)9-6-12;1-5-14-10(13)12-6-7-15-9(8-12)11(2,3)4;1-5-12-8-6-10(7-9-12)11(2,3)4;1-10(2,3)8-7-11(5-6-14-8)9(12)13-4;1-10(2,3)9-5-7-11(4)8-6-9/h10H,4-9H2,1-3H3;9H,5-8H2,1-4H3;10H,5-9H2,1-4H3;8H,5-7H2,1-4H3;9H,5-8H2,1-4H3
InChIKeyGHWXHRKZWXQXOL-UHFFFAOYSA-N
MW928.46 g/mol
LogP11.24
Rot. Bonds4

About 4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-(2-fluoroethyl)piperidine;4-tert-butyl-1-methylpiperidine;ethyl 2-tert-butylmorpholine-4-carboxylate;methyl 2-tert-butylmorpholine-4-carboxylate

4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-(2-fluoroethyl)piperidine;4-tert-butyl-1-methylpiperidine;ethyl 2-tert-butylmorpholine-4-carboxylate;methyl 2-tert-butylmorpholine-4-carboxylate (PubChem CID 163581471) has the molecular formula C53H106FN5O6 and a molecular weight of 928.46 g/mol. Its IUPAC name is 4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-(2-fluoroethyl)piperidine;4-tert-butyl-1-methylpiperidine;ethyl 2-tert-butylmorpholine-4-carboxylate;methyl 2-tert-butylmorpholine-4-carboxylate.

Molecular Properties

Compound Name4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-(2-fluoroethyl)piperidine;4-tert-butyl-1-methylpiperidine;ethyl 2-tert-butylmorpholine-4-carboxylate;methyl 2-tert-butylmorpholine-4-carboxylate
PubChem CID163581471
Molecular FormulaC53H106FN5O6
Molecular Weight928.46 g/mol
Exact Mass927.81
IUPAC Name4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-(2-fluoroethyl)piperidine;4-tert-butyl-1-methylpiperidine;ethyl 2-tert-butylmorpholine-4-carboxylate;methyl 2-tert-butylmorpholine-4-carboxylate
SMILESCC(C)(C)C1CCN(CCF)CC1.CCN1CCC(C(C)(C)C)CC1.CCOC(=O)N1CCOC(C(C)(C)C)C1.CN1CCC(C(C)(C)C)CC1.COC(=O)N1CCOC(C(C)(C)C)C1
InChIInChI=1S/C11H22FN.C11H21NO3.C11H23N.C10H19NO3.C10H21N/c1-11(2,3)10-4-7-13(8-5-10)9-6-12;1-5-14-10(13)12-6-7-15-9(8-12)11(2,3)4;1-5-12-8-6-10(7-9-12)11(2,3)4;1-10(2,3)8-7-11(5-6-14-8)9(12)13-4;1-10(2,3)9-5-7-11(4)8-6-9/h10H,4-9H2,1-3H3;9H,5-8H2,1-4H3;10H,5-9H2,1-4H3;8H,5-7H2,1-4H3;9H,5-8H2,1-4H3
InChIKeyGHWXHRKZWXQXOL-UHFFFAOYSA-N
XLogP11.24
TPSA87.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.46
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-(2-fluoroethyl)piperidine;4-tert-butyl-1-methylpiperidine;ethyl 2-tert-butylmorpholine-4-carboxylate;methyl 2-tert-butylmorpholine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-carboxamide
CID 118688704
2-tert-butylmorpholine-4-carbonyl chloride
CID 165491195
methyl 4-(4-tert-butylpiperidin-1-yl)-2-(methylamino)butanoate
CID 63054691
ethyl 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(methylamino)propanoate
CID 113418587
methyl 4-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate
CID 62091812
methyl 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 62089716
2-(2-tert-butylmorpholine-4-carbonyl)cyclobutane-1-carboxamide
CID 126819535
ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate
CID 113418606
ethane;ethyl 2-methylmorpholine-4-carboxylate;1-(2-methylmorpholin-4-yl)ethanone
CID 142506690
4-(4-tert-butylpiperidin-1-yl)-2-(cyclopropylamino)butanamide
CID 63054348
4-(4-tert-butylpiperidin-1-yl)butanamide
CID 118531384
ethyl 1-[4-amino-3-(aminomethyl)-3-methylbutyl]piperidine-4-carboxylate
CID 123231259

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-(2-fluoroethyl)piperidine;4-tert-butyl-1-methylpiperidine;ethyl 2-tert-butylmorpholine-4-carboxylate;methyl 2-tert-butylmorpholine-4-carboxylate?
The IUPAC name of 4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-(2-fluoroethyl)piperidine;4-tert-butyl-1-methylpiperidine;ethyl 2-tert-butylmorpholine-4-carboxylate;methyl 2-tert-butylmorpholine-4-carboxylate (CID 163581471) is 4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-(2-fluoroethyl)piperidine;4-tert-butyl-1-methylpiperidine;ethyl 2-tert-butylmorpholine-4-carboxylate;methyl 2-tert-butylmorpholine-4-carboxylate.
What is the SMILES notation for 4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-(2-fluoroethyl)piperidine;4-tert-butyl-1-methylpiperidine;ethyl 2-tert-butylmorpholine-4-carboxylate;methyl 2-tert-butylmorpholine-4-carboxylate?
The canonical SMILES for 4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-(2-fluoroethyl)piperidine;4-tert-butyl-1-methylpiperidine;ethyl 2-tert-butylmorpholine-4-carboxylate;methyl 2-tert-butylmorpholine-4-carboxylate is CC(C)(C)C1CCN(CCF)CC1.CCN1CCC(C(C)(C)C)CC1.CCOC(=O)N1CCOC(C(C)(C)C)C1.CN1CCC(C(C)(C)C)CC1.COC(=O)N1CCOC(C(C)(C)C)C1.
What is the InChIKey of 4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-(2-fluoroethyl)piperidine;4-tert-butyl-1-methylpiperidine;ethyl 2-tert-butylmorpholine-4-carboxylate;methyl 2-tert-butylmorpholine-4-carboxylate?
The InChIKey is GHWXHRKZWXQXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN.C11H21NO3.C11H23N.C10H19NO3.C10H21N/c1-11(2,3)10-4-7-13(8-5-10)9-6-12;1-5-14-10(13)12-6-7-15-9(8-12)11(2,3)4;1-5-12-8-6-10(7-9-12)11(2,3)4;1-10(2,3)8-7-11(5-6-14-8)9(12)13-4;1-10(2,3)9-5-7-11(4)8-6-9/h10H,4-9H2,1-3H3;9H,5-8H2,1-4H3;10H,5-9H2,1-4H3;8H,5-7H2,1-4H3;9H,5-8H2,1-4H3.
What are the key properties of 4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-(2-fluoroethyl)piperidine;4-tert-butyl-1-methylpiperidine;ethyl 2-tert-butylmorpholine-4-carboxylate;methyl 2-tert-butylmorpholine-4-carboxylate?
4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-(2-fluoroethyl)piperidine;4-tert-butyl-1-methylpiperidine;ethyl 2-tert-butylmorpholine-4-carboxylate;methyl 2-tert-butylmorpholine-4-carboxylate has a molecular weight of 928.46 g/mol, XLogP of 11.24, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-ethylpiperidine;4-tert-butyl-1-(2-fluoroethyl)piperidine;4-tert-butyl-1-methylpiperidine;ethyl 2-tert-butylmorpholine-4-carboxylate;methyl 2-tert-butylmorpholine-4-carboxylate is sourced from PubChem (CID 163581471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).