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236406-21-6 | 1-Piperidinecarboxylic acid, 4-(hydroxymethyl)-4-methyl-, 1,1-dimethylethyl ester
CAS No: 236406-21-6 Catalog No: AG002NZN MDL No:MFCD08062516
Product Description
Catalog Number:
AG002NZN
Chemical Name:
1-Piperidinecarboxylic acid, 4-(hydroxymethyl)-4-methyl-, 1,1-dimethylethyl ester
CAS Number:
236406-21-6
Molecular Formula:
C12H23NO3
Molecular Weight:
229.3159
MDL Number:
MFCD08062516
IUPAC Name:
tert-butyl 4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate
InChI:
InChI=1S/C12H23NO3/c1-11(2,3)16-10(15)13-7-5-12(4,9-14)6-8-13/h14H,5-9H2,1-4H3
InChI Key:
YFYSPIRFZKBBAU-UHFFFAOYSA-N
SMILES:
OCC1(C)CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.168g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.32g/mol
Monoisotopic Mass:
229.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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