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1305320-69-7 | 1-Piperidinecarboxylic acid, 4-(hydroxymethyl)-3-[(1-phenylethyl)amino]-, 1,1-dimethylethyl ester
CAS No: 1305320-69-7 Catalog No: AG000UKY MDL No:MFCD18911736
Product Description
Catalog Number:
AG000UKY
Chemical Name:
1-Piperidinecarboxylic acid, 4-(hydroxymethyl)-3-[(1-phenylethyl)amino]-, 1,1-dimethylethyl ester
CAS Number:
1305320-69-7
Molecular Formula:
C19H30N2O3
Molecular Weight:
334.4531
MDL Number:
MFCD18911736
IUPAC Name:
tert-butyl 4-(hydroxymethyl)-3-(1-phenylethylamino)piperidine-1-carboxylate
InChI:
InChI=1S/C19H30N2O3/c1-14(15-8-6-5-7-9-15)20-17-12-21(11-10-16(17)13-22)18(23)24-19(2,3)4/h5-9,14,16-17,20,22H,10-13H2,1-4H3
InChI Key:
HGOOISFRTZCVFQ-UHFFFAOYSA-N
SMILES:
OCC1CCN(CC1NC(c1ccccc1)C)C(=O)OC(C)(C)C
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.226g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.46g/mol
Monoisotopic Mass:
334.226g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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