tert-butyl (3R,4S)-4-amino-3-(dimethylamino)piperidine-1-carboxylate

C12H25N3O2 — CID 86648776

IUPACtert-butyl (3R,4S)-4-amino-3-(dimethylamino)piperidine-1-carboxylate
SMILESCN(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N
InChIInChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)15-7-6-9(13)10(8-15)14(4)5/h9-10H,6-8,13H2,1-5H3/t9-,10+/m0/s1
InChIKeyFABGLFBEEVHDHN-VHSXEESVSA-N
MW243.35 g/mol
LogP0.88
Rot. Bonds1

About tert-butyl (3R,4S)-4-amino-3-(dimethylamino)piperidine-1-carboxylate

tert-butyl (3R,4S)-4-amino-3-(dimethylamino)piperidine-1-carboxylate (PubChem CID 86648776) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl (3R,4S)-4-amino-3-(dimethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4S)-4-amino-3-(dimethylamino)piperidine-1-carboxylate
PubChem CID86648776
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Nametert-butyl (3R,4S)-4-amino-3-(dimethylamino)piperidine-1-carboxylate
SMILESCN(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N
InChIInChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)15-7-6-9(13)10(8-15)14(4)5/h9-10H,6-8,13H2,1-5H3/t9-,10+/m0/s1
InChIKeyFABGLFBEEVHDHN-VHSXEESVSA-N
XLogP0.88
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 121229157
tert-butyl 3-[carbamoyl(methyl)amino]pyrrolidine-1-carboxylate
CID 66758447
tert-butyl (3R,4S)-4-amino-3-cyclopropylpiperidine-1-carboxylate
CID 155905077
tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride
CID 127264231
tert-butyl (3R,4R)-4-amino-3-(trifluoromethyl)piperidine-1-carboxylate
CID 86327283
tert-butyl 4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride
CID 138108445
tert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride
CID 138393699
tert-butyl (4S,5S)-4-amino-5-methylazepane-1-carboxylate
CID 124523400
1-O-tert-butyl 3-O-methyl 4-aminopiperidine-1,3-dicarboxylate
CID 59216628
tert-butyl (3R,4S)-4-amino-3-ethoxypiperidine-1-carboxylate
CID 86648467
tert-butyl (3S,4R)-4-amino-3-(2-methylpropyl)piperidine-1-carboxylate
CID 123134891
tert-butyl 4-amino-3-(2,2,2-trifluoroethyl)piperidine-1-carboxylate
CID 84812421

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4S)-4-amino-3-(dimethylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4S)-4-amino-3-(dimethylamino)piperidine-1-carboxylate (CID 86648776) is tert-butyl (3R,4S)-4-amino-3-(dimethylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4S)-4-amino-3-(dimethylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4S)-4-amino-3-(dimethylamino)piperidine-1-carboxylate is CN(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N.
What is the InChIKey of tert-butyl (3R,4S)-4-amino-3-(dimethylamino)piperidine-1-carboxylate?
The InChIKey is FABGLFBEEVHDHN-VHSXEESVSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)15-7-6-9(13)10(8-15)14(4)5/h9-10H,6-8,13H2,1-5H3/t9-,10+/m0/s1.
What are the key properties of tert-butyl (3R,4S)-4-amino-3-(dimethylamino)piperidine-1-carboxylate?
tert-butyl (3R,4S)-4-amino-3-(dimethylamino)piperidine-1-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4S)-4-amino-3-(dimethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 86648776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).