tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethyl-1-(1H-imidazol-2-ylmethyl)piperidine;4-ethylpiperidine

C30H57N5O2 — CID 158197462

IUPACtert-butyl 4-ethylpiperidine-1-carboxylate;4-ethyl-1-(1H-imidazol-2-ylmethyl)piperidine;4-ethylpiperidine
SMILESCCC1CCN(C(=O)OC(C)(C)C)CC1.CCC1CCN(Cc2ncc[nH]2)CC1.CCC1CCNCC1
InChIInChI=1S/C12H23NO2.C11H19N3.C7H15N/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4;1-2-10-3-7-14(8-4-10)9-11-12-5-6-13-11;1-2-7-3-5-8-6-4-7/h10H,5-9H2,1-4H3;5-6,10H,2-4,7-9H2,1H3,(H,12,13);7-8H,2-6H2,1H3
InChIKeyGAMYJECDXDFCRD-UHFFFAOYSA-N
MW519.82 g/mol
LogP6.47
Rot. Bonds5

About tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethyl-1-(1H-imidazol-2-ylmethyl)piperidine;4-ethylpiperidine

tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethyl-1-(1H-imidazol-2-ylmethyl)piperidine;4-ethylpiperidine (PubChem CID 158197462) has the molecular formula C30H57N5O2 and a molecular weight of 519.82 g/mol. Its IUPAC name is tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethyl-1-(1H-imidazol-2-ylmethyl)piperidine;4-ethylpiperidine.

Molecular Properties

Compound Nametert-butyl 4-ethylpiperidine-1-carboxylate;4-ethyl-1-(1H-imidazol-2-ylmethyl)piperidine;4-ethylpiperidine
PubChem CID158197462
Molecular FormulaC30H57N5O2
Molecular Weight519.82 g/mol
Exact Mass519.45
IUPAC Nametert-butyl 4-ethylpiperidine-1-carboxylate;4-ethyl-1-(1H-imidazol-2-ylmethyl)piperidine;4-ethylpiperidine
SMILESCCC1CCN(C(=O)OC(C)(C)C)CC1.CCC1CCN(Cc2ncc[nH]2)CC1.CCC1CCNCC1
InChIInChI=1S/C12H23NO2.C11H19N3.C7H15N/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4;1-2-10-3-7-14(8-4-10)9-11-12-5-6-13-11;1-2-7-3-5-8-6-4-7/h10H,5-9H2,1-4H3;5-6,10H,2-4,7-9H2,1H3,(H,12,13);7-8H,2-6H2,1H3
InChIKeyGAMYJECDXDFCRD-UHFFFAOYSA-N
XLogP6.47
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.82
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

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tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine
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CID 159692880
CID 159692880
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CID 19349778
tert-butyl 4-hydroxy-5-methylazepane-1-carboxylate;methane;5-methylazepan-4-ol
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethyl-1-(1H-imidazol-2-ylmethyl)piperidine;4-ethylpiperidine?
The IUPAC name of tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethyl-1-(1H-imidazol-2-ylmethyl)piperidine;4-ethylpiperidine (CID 158197462) is tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethyl-1-(1H-imidazol-2-ylmethyl)piperidine;4-ethylpiperidine.
What is the SMILES notation for tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethyl-1-(1H-imidazol-2-ylmethyl)piperidine;4-ethylpiperidine?
The canonical SMILES for tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethyl-1-(1H-imidazol-2-ylmethyl)piperidine;4-ethylpiperidine is CCC1CCN(C(=O)OC(C)(C)C)CC1.CCC1CCN(Cc2ncc[nH]2)CC1.CCC1CCNCC1.
What is the InChIKey of tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethyl-1-(1H-imidazol-2-ylmethyl)piperidine;4-ethylpiperidine?
The InChIKey is GAMYJECDXDFCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2.C11H19N3.C7H15N/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4;1-2-10-3-7-14(8-4-10)9-11-12-5-6-13-11;1-2-7-3-5-8-6-4-7/h10H,5-9H2,1-4H3;5-6,10H,2-4,7-9H2,1H3,(H,12,13);7-8H,2-6H2,1H3.
What are the key properties of tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethyl-1-(1H-imidazol-2-ylmethyl)piperidine;4-ethylpiperidine?
tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethyl-1-(1H-imidazol-2-ylmethyl)piperidine;4-ethylpiperidine has a molecular weight of 519.82 g/mol, XLogP of 6.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethyl-1-(1H-imidazol-2-ylmethyl)piperidine;4-ethylpiperidine is sourced from PubChem (CID 158197462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).