tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate

C14H29N3O2 — CID 86311884

IUPACtert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
SMILESCN(C)CCN[C@@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H29N3O2/c1-14(2,3)19-13(18)17-9-6-7-12(11-17)15-8-10-16(4)5/h12,15H,6-11H2,1-5H3/t12-/m1/s1
InChIKeyJAPWWRPJNWOXFE-GFCCVEGCSA-N
MW271.40 g/mol
LogP1.54
Rot. Bonds4

About tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate

tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate (PubChem CID 86311884) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
PubChem CID86311884
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Nametert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
SMILESCN(C)CCN[C@@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H29N3O2/c1-14(2,3)19-13(18)17-9-6-7-12(11-17)15-8-10-16(4)5/h12,15H,6-11H2,1-5H3/t12-/m1/s1
InChIKeyJAPWWRPJNWOXFE-GFCCVEGCSA-N
XLogP1.54
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311882
tert-butyl 3-[2-(dimethylsulfamoyl)ethylamino]piperidine-1-carboxylate
CID 106334856
tert-butyl 3-(4-hydroxybutylamino)piperidine-1-carboxylate
CID 106840867
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
tert-butyl 3-(2-carbamoyloxyethylamino)piperidine-1-carboxylate
CID 83211355
tert-butyl 3-(6-hydroxyhexylamino)piperidine-1-carboxylate
CID 103949538
tert-butyl (3R)-3-(pent-3-ynylamino)piperidine-1-carboxylate
CID 172535316
tert-butyl 3-[1-(dimethylamino)propan-2-ylamino]piperidine-1-carboxylate
CID 82944881
tert-butyl 4-[2-(cyclohexylamino)ethyl-methylamino]piperidine-1-carboxylate
CID 91335990
tert-butyl (3R)-3-(pentylamino)azepane-1-carboxylate
CID 164579167
tert-butyl 3-[(3-methoxy-3-methylbutyl)amino]azepane-1-carboxylate
CID 107249434
tert-butyl 3-[(1-ethylcyclopropyl)methylamino]piperidine-1-carboxylate
CID 103949341

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate (CID 86311884) is tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate is CN(C)CCN[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate?
The InChIKey is JAPWWRPJNWOXFE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-14(2,3)19-13(18)17-9-6-7-12(11-17)15-8-10-16(4)5/h12,15H,6-11H2,1-5H3/t12-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate?
tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate has a molecular weight of 271.40 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 86311884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).