tert-butyl (2S,3R)-3-amino-2-[2-(dimethylamino)ethyl]piperidine-1-carboxylate

C14H29N3O2 — CID 82379100

IUPACtert-butyl (2S,3R)-3-amino-2-[2-(dimethylamino)ethyl]piperidine-1-carboxylate
SMILESCN(C)CC[C@H]1[C@H](N)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H29N3O2/c1-14(2,3)19-13(18)17-9-6-7-11(15)12(17)8-10-16(4)5/h11-12H,6-10,15H2,1-5H3/t11-,12+/m1/s1
InChIKeyPQNOCRQTNNQLCE-NEPJUHHUSA-N
MW271.40 g/mol
LogP1.66
Rot. Bonds3

About tert-butyl (2S,3R)-3-amino-2-[2-(dimethylamino)ethyl]piperidine-1-carboxylate

tert-butyl (2S,3R)-3-amino-2-[2-(dimethylamino)ethyl]piperidine-1-carboxylate (PubChem CID 82379100) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl (2S,3R)-3-amino-2-[2-(dimethylamino)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3R)-3-amino-2-[2-(dimethylamino)ethyl]piperidine-1-carboxylate
PubChem CID82379100
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Nametert-butyl (2S,3R)-3-amino-2-[2-(dimethylamino)ethyl]piperidine-1-carboxylate
SMILESCN(C)CC[C@H]1[C@H](N)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H29N3O2/c1-14(2,3)19-13(18)17-9-6-7-11(15)12(17)8-10-16(4)5/h11-12H,6-10,15H2,1-5H3/t11-,12+/m1/s1
InChIKeyPQNOCRQTNNQLCE-NEPJUHHUSA-N
XLogP1.66
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-amino-2-(fluoromethyl)piperidine-1-carboxylate
CID 155895330
tert-butyl (2S)-3-amino-2-(2-methylsulfanylethyl)pyrrolidine-1-carboxylate
CID 82380097
tert-butyl (2R,3R)-3-amino-2-methylpiperidine-1-carboxylate;hydrochloride
CID 166638368
tert-butyl 2-(hydroxymethyl)-3-(2-methylpropyl)piperidine-1-carboxylate
CID 163245918
1-O-tert-butyl 2-O-ethyl (2S,3R)-3-aminopiperidine-1,2-dicarboxylate
CID 163323409
tert-butyl (2S,3R)-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate
CID 11276298
tert-butyl (2S)-2-[(1R,2S)-2-aminocyclohexyl]pyrrolidine-1-carboxylate
CID 97159702
tert-butyl 2-[2-[formyl(methyl)amino]ethyl]pyrrolidine-1-carboxylate
CID 123504782
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
tert-butyl 3-amino-2-[(3-bromo-2-fluorophenyl)methyl]piperidine-1-carboxylate
CID 165393528
2-[2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
CID 83851665

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3R)-3-amino-2-[2-(dimethylamino)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3R)-3-amino-2-[2-(dimethylamino)ethyl]piperidine-1-carboxylate (CID 82379100) is tert-butyl (2S,3R)-3-amino-2-[2-(dimethylamino)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3R)-3-amino-2-[2-(dimethylamino)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3R)-3-amino-2-[2-(dimethylamino)ethyl]piperidine-1-carboxylate is CN(C)CC[C@H]1[C@H](N)CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,3R)-3-amino-2-[2-(dimethylamino)ethyl]piperidine-1-carboxylate?
The InChIKey is PQNOCRQTNNQLCE-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-14(2,3)19-13(18)17-9-6-7-11(15)12(17)8-10-16(4)5/h11-12H,6-10,15H2,1-5H3/t11-,12+/m1/s1.
What are the key properties of tert-butyl (2S,3R)-3-amino-2-[2-(dimethylamino)ethyl]piperidine-1-carboxylate?
tert-butyl (2S,3R)-3-amino-2-[2-(dimethylamino)ethyl]piperidine-1-carboxylate has a molecular weight of 271.40 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3R)-3-amino-2-[2-(dimethylamino)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 82379100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).