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89009-86-9 | Piperidine, 1-[3-(hexahydro-1H-1,4-diazepin-1-yl)-1-oxopropyl]-
CAS No: 89009-86-9 Catalog No: AG00444R MDL No:
Product Description
Catalog Number:
AG00444R
Chemical Name:
Piperidine, 1-[3-(hexahydro-1H-1,4-diazepin-1-yl)-1-oxopropyl]-
CAS Number:
89009-86-9
Molecular Formula:
C13H25N3O
Molecular Weight:
239.3571
IUPAC Name:
3-(1,4-diazepan-1-yl)-1-piperidin-1-ylpropan-1-one
InChI:
InChI=1S/C13H25N3O/c17-13(16-9-2-1-3-10-16)5-11-15-8-4-6-14-7-12-15/h14H,1-12H2
InChI Key:
DEDXMMQMNDVULK-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC1)CCN1CCNCCC1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.2g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.363g/mol
Monoisotopic Mass:
239.2g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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