tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate

C13H26N2O2 — CID 53249196

IUPACtert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
SMILESCCNCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-5-14-10-11-6-8-15(9-7-11)12(16)17-13(2,3)4/h11,14H,5-10H2,1-4H3
InChIKeyGGCSYCMKWQRFMZ-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.24
Rot. Bonds3

About tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate

tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate (PubChem CID 53249196) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
PubChem CID53249196
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
SMILESCCNCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-5-14-10-11-6-8-15(9-7-11)12(16)17-13(2,3)4/h11,14H,5-10H2,1-4H3
InChIKeyGGCSYCMKWQRFMZ-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[2-(ethylamino)ethyl]piperidine-1-carboxylate
CID 71635409
tert-butyl 4-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate
CID 79699650
tert-butyl 4-(propylaminomethyl)piperidine-1-carboxylate
CID 66960433
tert-butyl 4-[(prop-2-ynylamino)methyl]piperidine-1-carboxylate
CID 79699956
tert-butyl 4-[(pentylamino)methyl]piperidine-1-carboxylate
CID 79697806
tert-butyl 4-[(2-methylbutan-2-ylamino)methyl]piperidine-1-carboxylate
CID 78918218
tert-butyl 4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103730170
tert-butyl (3R)-3-[2-(ethylamino)ethyl]pyrrolidine-1-carboxylate
CID 71635386
tert-butyl 4-[[2-(tert-butylamino)ethylamino]methyl]piperidine-1-carboxylate
CID 107446306
tert-butyl 4-[[(1-methylcyclopropyl)methylamino]methyl]piperidine-1-carboxylate
CID 103766065
tert-butyl 4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]piperidine-1-carboxylate
CID 103730102
tert-butyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate
CID 79697736

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate (CID 53249196) is tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate is CCNCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate?
The InChIKey is GGCSYCMKWQRFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-14-10-11-6-8-15(9-7-11)12(16)17-13(2,3)4/h11,14H,5-10H2,1-4H3.
What are the key properties of tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate?
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate is sourced from PubChem (CID 53249196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).