tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpiperidine;hydrochloride

C19H39ClN2O2 — CID 161166087

IUPACtert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpiperidine;hydrochloride
SMILESCCC1CCN(C(=O)OC(C)(C)C)CC1.CCC1CCNCC1.Cl
InChIInChI=1S/C12H23NO2.C7H15N.ClH/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4;1-2-7-3-5-8-6-4-7;/h10H,5-9H2,1-4H3;7-8H,2-6H2,1H3;1H
InChIKeyNJEFMNPTALYBPG-UHFFFAOYSA-N
MW362.99 g/mol
LogP4.86
Rot. Bonds2

About tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpiperidine;hydrochloride

tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpiperidine;hydrochloride (PubChem CID 161166087) has the molecular formula C19H39ClN2O2 and a molecular weight of 362.99 g/mol. Its IUPAC name is tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpiperidine;hydrochloride.

Molecular Properties

Compound Nametert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpiperidine;hydrochloride
PubChem CID161166087
Molecular FormulaC19H39ClN2O2
Molecular Weight362.99 g/mol
Exact Mass362.27
IUPAC Nametert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpiperidine;hydrochloride
SMILESCCC1CCN(C(=O)OC(C)(C)C)CC1.CCC1CCNCC1.Cl
InChIInChI=1S/C12H23NO2.C7H15N.ClH/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4;1-2-7-3-5-8-6-4-7;/h10H,5-9H2,1-4H3;7-8H,2-6H2,1H3;1H
InChIKeyNJEFMNPTALYBPG-UHFFFAOYSA-N
XLogP4.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.99
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-Aminoethyl)piperidine, 4-BOC protected
CID 1501849
Tert-butyl (piperidin-4-ylmethyl)carbamate
CID 723429
Tert-butyl (1R,5S)-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 75487613
1-Boc-4-(aminomethyl)piperidine
CID 736817
tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 15296367
tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate
CID 23004743
tert-Butyl 4-((methylamino)methyl)piperidine-1-carboxylate
CID 21934652
tert-Butyl 4-(2-aminoethyl)piperidine-1-carboxylate
CID 1514258
4,4'-Bipiperidine, 1-boc protected
CID 11747599
Tert-butyl 4-[3-(methylamino)propyl]piperidine-1-carboxylate
CID 18374734
Tert-butyl (4,4'-bipiperidine)-1-carboxylate hydrochloride
CID 19349778
Tert-butyl 4-[(piperidin-4-yloxy)methyl]piperidine-1-carboxylate
CID 19602711

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpiperidine;hydrochloride?
The IUPAC name of tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpiperidine;hydrochloride (CID 161166087) is tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpiperidine;hydrochloride.
What is the SMILES notation for tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpiperidine;hydrochloride?
The canonical SMILES for tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpiperidine;hydrochloride is CCC1CCN(C(=O)OC(C)(C)C)CC1.CCC1CCNCC1.Cl.
What is the InChIKey of tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpiperidine;hydrochloride?
The InChIKey is NJEFMNPTALYBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2.C7H15N.ClH/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4;1-2-7-3-5-8-6-4-7;/h10H,5-9H2,1-4H3;7-8H,2-6H2,1H3;1H.
What are the key properties of tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpiperidine;hydrochloride?
tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpiperidine;hydrochloride has a molecular weight of 362.99 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpiperidine;hydrochloride is sourced from PubChem (CID 161166087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).