1-(3-Methoxy-4-nitrophenyl)-4-methylpiperazine - CAS 761440-26-0

Catalog:	BB035503
Product Name:	1-(3-Methoxy-4-nitrophenyl)-4-methylpiperazine
CAS:	761440-26-0
Synonyms:	1-(3-methoxy-4-nitrophenyl)-4-methylpiperazine; 1-(3-methoxy-4-nitrophenyl)-4-methylpiperazine

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(3-methoxy-4-nitrophenyl)-4-methylpiperazine
Description:	1-(3-Methoxy-4-nitrophenyl)-4-methylpiperazine (CAS# 761440-26-0) is an intermediate in the synthetic preparation of WZ4003-d5 (W980002).
Molecular Weight:	251.28
Molecular Formula:	C12H17N3O3
Canonical SMILES:	CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])OC
InChI:	InChI=1S/C12H17N3O3/c1-13-5-7-14(8-6-13)10-3-4-11(15(16)17)12(9-10)18-2/h3-4,9H,5-8H2,1-2H3
InChI Key:	MKTFAOFIZMORTQ-UHFFFAOYSA-N
MDL:	MFCD16249532
LogP:	1.35750

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Related Functional Groups

Piperazines

[1197237-96-9]
3-(4-Propylpiperazin-1-yl)propan-1-amine trihydrochloride
[1095010-42-6]
N-(5-Methylsulphonyl-2-nitrophenyl)piperazine
[27106-51-0]
1-(Toluene-4-sulfonyl)piperazine
[84477-72-5]
2,2-Dimethylpiperazine
[400756-19-6]
6,6-dimethyl-1-(propan-2-yl)piperazin-2-one
[4410-12-2]
N-Benzylhomopiperazine

Complexity:	287
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	251.12699141
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	251.12699141
Rotatable Bond Count:	2
Topological Polar Surface Area:	61.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7