tert-butyl (3R,5R)-3-(methylaminomethyl)-5-[methyl(propan-2-yl)amino]piperidine-1-carboxylate

C16H33N3O2 — CID 143729730

IUPACtert-butyl (3R,5R)-3-(methylaminomethyl)-5-[methyl(propan-2-yl)amino]piperidine-1-carboxylate
SMILESCNC[C@H]1C[C@@H](N(C)C(C)C)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H33N3O2/c1-12(2)18(7)14-8-13(9-17-6)10-19(11-14)15(20)21-16(3,4)5/h12-14,17H,8-11H2,1-7H3/t13-,14-/m1/s1
InChIKeyPSRUCKWUIRUBDR-ZIAGYGMSSA-N
MW299.46 g/mol
LogP2.17
Rot. Bonds4

About tert-butyl (3R,5R)-3-(methylaminomethyl)-5-[methyl(propan-2-yl)amino]piperidine-1-carboxylate

tert-butyl (3R,5R)-3-(methylaminomethyl)-5-[methyl(propan-2-yl)amino]piperidine-1-carboxylate (PubChem CID 143729730) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is tert-butyl (3R,5R)-3-(methylaminomethyl)-5-[methyl(propan-2-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,5R)-3-(methylaminomethyl)-5-[methyl(propan-2-yl)amino]piperidine-1-carboxylate
PubChem CID143729730
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Nametert-butyl (3R,5R)-3-(methylaminomethyl)-5-[methyl(propan-2-yl)amino]piperidine-1-carboxylate
SMILESCNC[C@H]1C[C@@H](N(C)C(C)C)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H33N3O2/c1-12(2)18(7)14-8-13(9-17-6)10-19(11-14)15(20)21-16(3,4)5/h12-14,17H,8-11H2,1-7H3/t13-,14-/m1/s1
InChIKeyPSRUCKWUIRUBDR-ZIAGYGMSSA-N
XLogP2.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-O-tert-butyl 3-O-(chloromethyl) 5-[methyl(propan-2-yl)amino]piperidine-1,3-dicarboxylate
CID 165440702
tert-butyl (3R)-3-hydroxy-4-(methylaminomethyl)pyrrolidine-1-carboxylate
CID 130204392
tert-butyl 3-[ethyl(methyl)amino]azetidine-1-carboxylate
CID 71258498
tert-butyl 3-[[3-(methylamino)cyclobutyl]methyl]azetidine-1-carboxylate
CID 171081613
tert-butyl 3-[[methyl(methylsulfonyl)amino]methyl]azetidine-1-carboxylate
CID 155681430
tert-butyl 3-[[(4-propan-2-ylcyclohexyl)amino]methyl]azetidine-1-carboxylate
CID 58394498
tert-butyl 3-(3-hydroxy-2-methylpropyl)azetidine-1-carboxylate
CID 68759266
tert-butyl (3R,4R)-3,4-bis[ethyl(methyl)carbamoyl]pyrrolidine-1-carboxylate
CID 75447651
tert-butyl 3-(butylaminomethyl)azetidine-1-carboxylate
CID 71304630
tert-butyl (3R)-3-[methyl(2-methylpropyl)amino]pyrrolidine-1-carboxylate
CID 68999630
tert-butyl 3-(methanesulfonamido)azetidine-1-carboxylate;tert-butyl 3-[methyl(methylsulfonyl)amino]azetidine-1-carboxylate
CID 158805489
tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride
CID 45072199

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,5R)-3-(methylaminomethyl)-5-[methyl(propan-2-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,5R)-3-(methylaminomethyl)-5-[methyl(propan-2-yl)amino]piperidine-1-carboxylate (CID 143729730) is tert-butyl (3R,5R)-3-(methylaminomethyl)-5-[methyl(propan-2-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,5R)-3-(methylaminomethyl)-5-[methyl(propan-2-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,5R)-3-(methylaminomethyl)-5-[methyl(propan-2-yl)amino]piperidine-1-carboxylate is CNC[C@H]1C[C@@H](N(C)C(C)C)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R,5R)-3-(methylaminomethyl)-5-[methyl(propan-2-yl)amino]piperidine-1-carboxylate?
The InChIKey is PSRUCKWUIRUBDR-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-12(2)18(7)14-8-13(9-17-6)10-19(11-14)15(20)21-16(3,4)5/h12-14,17H,8-11H2,1-7H3/t13-,14-/m1/s1.
What are the key properties of tert-butyl (3R,5R)-3-(methylaminomethyl)-5-[methyl(propan-2-yl)amino]piperidine-1-carboxylate?
tert-butyl (3R,5R)-3-(methylaminomethyl)-5-[methyl(propan-2-yl)amino]piperidine-1-carboxylate has a molecular weight of 299.46 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,5R)-3-(methylaminomethyl)-5-[methyl(propan-2-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 143729730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).