tert-butyl 2-[(1S)-1-aminoethyl]-3-ethylpiperidine-1-carboxylate

C14H28N2O2 — CID 172559646

IUPACtert-butyl 2-[(1S)-1-aminoethyl]-3-ethylpiperidine-1-carboxylate
SMILESCCC1CCCN(C(=O)OC(C)(C)C)C1[C@H](C)N
InChIInChI=1S/C14H28N2O2/c1-6-11-8-7-9-16(12(11)10(2)15)13(17)18-14(3,4)5/h10-12H,6-9,15H2,1-5H3/t10-,11?,12?/m0/s1
InChIKeyJVEXNFJUQRMJJL-UNXYVOJBSA-N
MW256.39 g/mol
LogP2.76
Rot. Bonds2

About tert-butyl 2-[(1S)-1-aminoethyl]-3-ethylpiperidine-1-carboxylate

tert-butyl 2-[(1S)-1-aminoethyl]-3-ethylpiperidine-1-carboxylate (PubChem CID 172559646) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl 2-[(1S)-1-aminoethyl]-3-ethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(1S)-1-aminoethyl]-3-ethylpiperidine-1-carboxylate
PubChem CID172559646
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl 2-[(1S)-1-aminoethyl]-3-ethylpiperidine-1-carboxylate
SMILESCCC1CCCN(C(=O)OC(C)(C)C)C1[C@H](C)N
InChIInChI=1S/C14H28N2O2/c1-6-11-8-7-9-16(12(11)10(2)15)13(17)18-14(3,4)5/h10-12H,6-9,15H2,1-5H3/t10-,11?,12?/m0/s1
InChIKeyJVEXNFJUQRMJJL-UNXYVOJBSA-N
XLogP2.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(hydroxymethyl)-3-(2-methylpropyl)piperidine-1-carboxylate
CID 163245918
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
2-[2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
CID 83851665
tert-butyl 5-(1-aminoethyl)azocane-1-carboxylate
CID 166746033
tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate
CID 79549369
tert-butyl (2S)-2-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate
CID 129403343
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
tert-butyl (2R)-2-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxylate
CID 95566963
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
tert-butyl (2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate
CID 102477716
tert-butyl (2R)-2-[(2S)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 72724635
1-O-tert-butyl 2-O-ethyl (2S,3R)-3-aminopiperidine-1,2-dicarboxylate
CID 163323409

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1S)-1-aminoethyl]-3-ethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(1S)-1-aminoethyl]-3-ethylpiperidine-1-carboxylate (CID 172559646) is tert-butyl 2-[(1S)-1-aminoethyl]-3-ethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(1S)-1-aminoethyl]-3-ethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(1S)-1-aminoethyl]-3-ethylpiperidine-1-carboxylate is CCC1CCCN(C(=O)OC(C)(C)C)C1[C@H](C)N.
What is the InChIKey of tert-butyl 2-[(1S)-1-aminoethyl]-3-ethylpiperidine-1-carboxylate?
The InChIKey is JVEXNFJUQRMJJL-UNXYVOJBSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-11-8-7-9-16(12(11)10(2)15)13(17)18-14(3,4)5/h10-12H,6-9,15H2,1-5H3/t10-,11?,12?/m0/s1.
What are the key properties of tert-butyl 2-[(1S)-1-aminoethyl]-3-ethylpiperidine-1-carboxylate?
tert-butyl 2-[(1S)-1-aminoethyl]-3-ethylpiperidine-1-carboxylate has a molecular weight of 256.39 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1S)-1-aminoethyl]-3-ethylpiperidine-1-carboxylate is sourced from PubChem (CID 172559646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).