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236406-38-5 | 1-Piperidinecarboxylic acid, 4-(2-hydroxyethyl)-4-(hydroxyMethyl)-, 1,1-diMethylethyl ester
CAS No: 236406-38-5 Catalog No: AG002NZK MDL No:
Product Description
Catalog Number:
AG002NZK
Chemical Name:
1-Piperidinecarboxylic acid, 4-(2-hydroxyethyl)-4-(hydroxyMethyl)-, 1,1-diMethylethyl ester
CAS Number:
236406-38-5
Molecular Formula:
C13H25NO4
Molecular Weight:
259.3419
IUPAC Name:
tert-butyl 4-(2-hydroxyethyl)-4-(hydroxymethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C13H25NO4/c1-12(2,3)18-11(17)14-7-4-13(10-16,5-8-14)6-9-15/h15-16H,4-10H2,1-3H3
InChI Key:
NWKRKDPDQVUAHV-UHFFFAOYSA-N
SMILES:
OCCC1(CO)CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.178g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.346g/mol
Monoisotopic Mass:
259.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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