4-[3-(4-methylpiperazin-1-yl)-5-nitrophenyl]morpholine

C15H22N4O3 — CID 69324522

IUPAC4-[3-(4-methylpiperazin-1-yl)-5-nitrophenyl]morpholine
SMILESCN1CCN(c2cc(N3CCOCC3)cc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C15H22N4O3/c1-16-2-4-17(5-3-16)13-10-14(12-15(11-13)19(20)21)18-6-8-22-9-7-18/h10-12H,2-9H2,1H3
InChIKeyRRJLSJCOERSUJY-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.18
Rot. Bonds3

About 4-[3-(4-methylpiperazin-1-yl)-5-nitrophenyl]morpholine

4-[3-(4-methylpiperazin-1-yl)-5-nitrophenyl]morpholine (PubChem CID 69324522) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[3-(4-methylpiperazin-1-yl)-5-nitrophenyl]morpholine.

Molecular Properties

Compound Name4-[3-(4-methylpiperazin-1-yl)-5-nitrophenyl]morpholine
PubChem CID69324522
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name4-[3-(4-methylpiperazin-1-yl)-5-nitrophenyl]morpholine
SMILESCN1CCN(c2cc(N3CCOCC3)cc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C15H22N4O3/c1-16-2-4-17(5-3-16)13-10-14(12-15(11-13)19(20)21)18-6-8-22-9-7-18/h10-12H,2-9H2,1H3
InChIKeyRRJLSJCOERSUJY-UHFFFAOYSA-N
XLogP1.18
TPSA62.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[3-[(4-methylpiperazin-1-yl)methyl]-5-nitrophenyl]morpholine
CID 69322898
3-morpholin-4-yl-5-nitrobenzoic acid
CID 59817793
(3R)-1-(3-morpholin-4-yl-5-nitrophenyl)pyrrolidin-3-ol
CID 69320000
3-(4-methylpiperazin-1-yl)-5-nitrobenzenesulfonic acid;hydrochloride
CID 174636628
1-methyl-4-(3-nitrophenyl)piperazine;dihydrochloride
CID 77068306
4-(6-nitro-3-bicyclo[3.1.1]hepta-1,3,5-trienyl)morpholine
CID 173213959
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
N,N-dimethyl-3-morpholin-4-yl-5-nitrobenzamide;3-morpholin-4-yl-5-nitrobenzoic acid
CID 158405345
methyl 3-morpholin-4-yl-5-nitrobenzoate;3-morpholin-4-yl-5-nitrobenzoic acid
CID 161316343
(4-methylpiperazin-1-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 58993930
1-methyl-4-(4-nitrophenyl)piperazine;4-(4-methylpiperazin-1-yl)aniline
CID 69123468
4-[3-(cyclopropyloxymethyl)-5-nitrophenyl]morpholine
CID 177331560

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylpiperazin-1-yl)-5-nitrophenyl]morpholine?
The IUPAC name of 4-[3-(4-methylpiperazin-1-yl)-5-nitrophenyl]morpholine (CID 69324522) is 4-[3-(4-methylpiperazin-1-yl)-5-nitrophenyl]morpholine.
What is the SMILES notation for 4-[3-(4-methylpiperazin-1-yl)-5-nitrophenyl]morpholine?
The canonical SMILES for 4-[3-(4-methylpiperazin-1-yl)-5-nitrophenyl]morpholine is CN1CCN(c2cc(N3CCOCC3)cc([N+](=O)[O-])c2)CC1.
What is the InChIKey of 4-[3-(4-methylpiperazin-1-yl)-5-nitrophenyl]morpholine?
The InChIKey is RRJLSJCOERSUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-16-2-4-17(5-3-16)13-10-14(12-15(11-13)19(20)21)18-6-8-22-9-7-18/h10-12H,2-9H2,1H3.
What are the key properties of 4-[3-(4-methylpiperazin-1-yl)-5-nitrophenyl]morpholine?
4-[3-(4-methylpiperazin-1-yl)-5-nitrophenyl]morpholine has a molecular weight of 306.37 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylpiperazin-1-yl)-5-nitrophenyl]morpholine is sourced from PubChem (CID 69324522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).