tert-butyl 3-ethyl-5-(3-methylbutylamino)piperidine-1-carboxylate

C17H34N2O2 — CID 83995714

IUPACtert-butyl 3-ethyl-5-(3-methylbutylamino)piperidine-1-carboxylate
SMILESCCC1CC(NCCC(C)C)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H34N2O2/c1-7-14-10-15(18-9-8-13(2)3)12-19(11-14)16(20)21-17(4,5)6/h13-15,18H,7-12H2,1-6H3
InChIKeyQRBKYGWODIYQLR-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.66
Rot. Bonds5

About tert-butyl 3-ethyl-5-(3-methylbutylamino)piperidine-1-carboxylate

tert-butyl 3-ethyl-5-(3-methylbutylamino)piperidine-1-carboxylate (PubChem CID 83995714) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl 3-ethyl-5-(3-methylbutylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-ethyl-5-(3-methylbutylamino)piperidine-1-carboxylate
PubChem CID83995714
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl 3-ethyl-5-(3-methylbutylamino)piperidine-1-carboxylate
SMILESCCC1CC(NCCC(C)C)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H34N2O2/c1-7-14-10-15(18-9-8-13(2)3)12-19(11-14)16(20)21-17(4,5)6/h13-15,18H,7-12H2,1-6H3
InChIKeyQRBKYGWODIYQLR-UHFFFAOYSA-N
XLogP3.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2,2-dimethylpropyl)-5-(3-methylbutylamino)piperidine-1-carboxylate
CID 83995695
tert-butyl 3-(7-methyloctylamino)azetidine-1-carboxylate
CID 63421387
tert-butyl 3-(acetyloxymethyl)-5-(2-methylpropylamino)piperidine-1-carboxylate
CID 59625593
tert-butyl 3-methyl-5-(propylamino)piperidine-1-carboxylate
CID 83990962
1-[3-ethyl-5-(propylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 83991039
tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate;2-methylpentane
CID 174865943
tert-butyl 3-[2-[(3-ethylcyclopentyl)amino]ethyl]piperidine-1-carboxylate
CID 103699329
ethyl 2-[3-ethyl-5-(3-methylbutylamino)piperidin-1-yl]acetate
CID 83996099
tert-butyl 3-[2-(diethylamino)ethylamino]azetidine-1-carboxylate
CID 63302669
tert-butyl 3-(2-cyclopentylethylamino)azetidine-1-carboxylate
CID 63302686
tert-butyl 4-(4-methylpentylamino)piperidine-1-carboxylate
CID 61044256
tert-butyl 3-(7-methyloctylamino)pyrrolidine-1-carboxylate
CID 103820828

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-ethyl-5-(3-methylbutylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-ethyl-5-(3-methylbutylamino)piperidine-1-carboxylate (CID 83995714) is tert-butyl 3-ethyl-5-(3-methylbutylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-ethyl-5-(3-methylbutylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-ethyl-5-(3-methylbutylamino)piperidine-1-carboxylate is CCC1CC(NCCC(C)C)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-ethyl-5-(3-methylbutylamino)piperidine-1-carboxylate?
The InChIKey is QRBKYGWODIYQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-7-14-10-15(18-9-8-13(2)3)12-19(11-14)16(20)21-17(4,5)6/h13-15,18H,7-12H2,1-6H3.
What are the key properties of tert-butyl 3-ethyl-5-(3-methylbutylamino)piperidine-1-carboxylate?
tert-butyl 3-ethyl-5-(3-methylbutylamino)piperidine-1-carboxylate has a molecular weight of 298.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-ethyl-5-(3-methylbutylamino)piperidine-1-carboxylate is sourced from PubChem (CID 83995714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).