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141856-12-4 | 2-Piperazineacetic acid, 4-(phenylmethyl)-, methyl ester
CAS No: 141856-12-4 Catalog No: AG001H9F MDL No:MFCD09608049
Product Description
Catalog Number:
AG001H9F
Chemical Name:
2-Piperazineacetic acid, 4-(phenylmethyl)-, methyl ester
CAS Number:
141856-12-4
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
MDL Number:
MFCD09608049
IUPAC Name:
methyl 2-(4-benzylpiperazin-2-yl)acetate
InChI:
InChI=1S/C14H20N2O2/c1-18-14(17)9-13-11-16(8-7-15-13)10-12-5-3-2-4-6-12/h2-6,13,15H,7-11H2,1H3
InChI Key:
YHEMYXIJYAOAST-UHFFFAOYSA-N
SMILES:
COC(=O)CC1NCCN(C1)Cc1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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