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1192063-94-7 | 1-Piperidinecarboxylic acid, 4-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]-, 1,1-dimethylethyl ester, rel-
CAS No: 1192063-94-7 Catalog No: AG000IDR MDL No:MFCD19689669
Product Description
Catalog Number:
AG000IDR
Chemical Name:
1-Piperidinecarboxylic acid, 4-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]-, 1,1-dimethylethyl ester, rel-
CAS Number:
1192063-94-7
Molecular Formula:
C14H25NO3
Molecular Weight:
255.3532
MDL Number:
MFCD19689669
IUPAC Name:
tert-butyl 4-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]piperidine-1-carboxylate
InChI:
InChI=1S/C14H25NO3/c1-14(2,3)18-13(17)15-6-4-10(5-7-15)12-8-11(12)9-16/h10-12,16H,4-9H2,1-3H3/t11-,12-/m1/s1
InChI Key:
PXVMOVQTFNAUJP-VXGBXAGGSA-N
SMILES:
OC[C@H]1C[C@@H]1C1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
255.183g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.358g/mol
Monoisotopic Mass:
255.183g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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