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163210-22-8 | 1-Piperidinecarboxylic acid, 3-(3-hydroxypropyl)-, 1,1-dimethylethyl ester
CAS No: 163210-22-8 Catalog No: AG001TVP MDL No:MFCD23701755
Product Description
Catalog Number:
AG001TVP
Chemical Name:
1-Piperidinecarboxylic acid, 3-(3-hydroxypropyl)-, 1,1-dimethylethyl ester
CAS Number:
163210-22-8
Molecular Formula:
C13H25NO3
Molecular Weight:
243.3425
MDL Number:
MFCD23701755
IUPAC Name:
tert-butyl 3-(3-hydroxypropyl)piperidine-1-carboxylate
InChI:
InChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14-8-4-6-11(10-14)7-5-9-15/h11,15H,4-10H2,1-3H3
InChI Key:
DIQOZPGKFVICKN-UHFFFAOYSA-N
SMILES:
OCCCC1CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.183g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.347g/mol
Monoisotopic Mass:
243.183g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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