tert-butyl 3-(diethylamino)-3-ethylpiperidine-1-carboxylate

C16H32N2O2 — CID 165471269

IUPACtert-butyl 3-(diethylamino)-3-ethylpiperidine-1-carboxylate
SMILESCCN(CC)C1(CC)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-7-16(18(8-2)9-3)11-10-12-17(13-16)14(19)20-15(4,5)6/h7-13H2,1-6H3
InChIKeyWSOXVVPHHZSDBQ-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.51
Rot. Bonds4

About tert-butyl 3-(diethylamino)-3-ethylpiperidine-1-carboxylate

tert-butyl 3-(diethylamino)-3-ethylpiperidine-1-carboxylate (PubChem CID 165471269) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl 3-(diethylamino)-3-ethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(diethylamino)-3-ethylpiperidine-1-carboxylate
PubChem CID165471269
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl 3-(diethylamino)-3-ethylpiperidine-1-carboxylate
SMILESCCN(CC)C1(CC)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-7-16(18(8-2)9-3)11-10-12-17(13-16)14(19)20-15(4,5)6/h7-13H2,1-6H3
InChIKeyWSOXVVPHHZSDBQ-UHFFFAOYSA-N
XLogP3.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(aminomethyl)-4-(diethylamino)azepane-1-carboxylate
CID 84816192
tert-butyl (3R)-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate
CID 129395641
tert-butyl (3R)-3-ethyl-3-(2-hydroxyethyl)piperidine-1-carboxylate
CID 16723836
1-O-tert-butyl 3-O-ethyl 3-hydroxypiperidine-1,3-dicarboxylate
CID 117273382
1-O-tert-butyl 3-O-ethyl (3R)-3-fluoropiperidine-1,3-dicarboxylate
CID 86334070
tert-butyl 3-ethyl-3-piperidin-1-ylpiperidine-1-carboxylate
CID 165471272
1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate
CID 86306952
tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659
tert-butyl 3-amino-3-propylpiperidine-1-carboxylate
CID 83693042
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl (3S)-3-chloro-3-methylpiperidine-1-carboxylate
CID 97171665
tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 96892899

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(diethylamino)-3-ethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(diethylamino)-3-ethylpiperidine-1-carboxylate (CID 165471269) is tert-butyl 3-(diethylamino)-3-ethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(diethylamino)-3-ethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(diethylamino)-3-ethylpiperidine-1-carboxylate is CCN(CC)C1(CC)CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(diethylamino)-3-ethylpiperidine-1-carboxylate?
The InChIKey is WSOXVVPHHZSDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-7-16(18(8-2)9-3)11-10-12-17(13-16)14(19)20-15(4,5)6/h7-13H2,1-6H3.
What are the key properties of tert-butyl 3-(diethylamino)-3-ethylpiperidine-1-carboxylate?
tert-butyl 3-(diethylamino)-3-ethylpiperidine-1-carboxylate has a molecular weight of 284.44 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(diethylamino)-3-ethylpiperidine-1-carboxylate is sourced from PubChem (CID 165471269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).