4-(2-nitro-5-piperazin-1-ylphenyl)morpholine;hydrochloride

C14H21ClN4O3 — CID 17354179

IUPAC4-(2-nitro-5-piperazin-1-ylphenyl)morpholine;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc(N2CCNCC2)cc1N1CCOCC1
InChIInChI=1S/C14H20N4O3.ClH/c19-18(20)13-2-1-12(16-5-3-15-4-6-16)11-14(13)17-7-9-21-10-8-17;/h1-2,11,15H,3-10H2;1H
InChIKeyNDSSXCUPJNWSLX-UHFFFAOYSA-N
MW328.80 g/mol
LogP1.26
Rot. Bonds3

About 4-(2-nitro-5-piperazin-1-ylphenyl)morpholine;hydrochloride

4-(2-nitro-5-piperazin-1-ylphenyl)morpholine;hydrochloride (PubChem CID 17354179) has the molecular formula C14H21ClN4O3 and a molecular weight of 328.80 g/mol. Its IUPAC name is 4-(2-nitro-5-piperazin-1-ylphenyl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-(2-nitro-5-piperazin-1-ylphenyl)morpholine;hydrochloride
PubChem CID17354179
Molecular FormulaC14H21ClN4O3
Molecular Weight328.80 g/mol
Exact Mass328.13
IUPAC Name4-(2-nitro-5-piperazin-1-ylphenyl)morpholine;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc(N2CCNCC2)cc1N1CCOCC1
InChIInChI=1S/C14H20N4O3.ClH/c19-18(20)13-2-1-12(16-5-3-15-4-6-16)11-14(13)17-7-9-21-10-8-17;/h1-2,11,15H,3-10H2;1H
InChIKeyNDSSXCUPJNWSLX-UHFFFAOYSA-N
XLogP1.26
TPSA70.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 51.26
H-Bond Donors ≤ 51
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-morpholin-4-yl-4-nitrophenyl)morpholine
CID 2829644
4-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]morpholine
CID 2866183
4-[5-[(3S)-3-methylpiperazin-4-ium-1-yl]-2-nitrophenyl]morpholine
CID 7279316
4-(5-bromo-2-nitrophenyl)morpholine
CID 71651965
4-nitro-3-piperazin-1-ylbenzaldehyde
CID 175320617
1-methyl-4-[3-(4-methylpiperazin-1-yl)-4-nitrophenyl]piperazine
CID 2888142
N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]acetamide
CID 5104311
4-nitro-3-piperazin-1-ylbenzonitrile
CID 112694733
1-[2,4-dinitro-5-(1,4,7,10-tetrazacyclododec-1-yl)phenyl]-1,4,7,10-tetrazacyclododecane
CID 11713183
4-(4-iodo-3-nitrophenyl)morpholine
CID 121330336
1-(4-chloro-3-nitrophenyl)piperazine
CID 4738747
[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]-(3-nitrophenyl)methanone
CID 4282035

Frequently Asked Questions

What is the IUPAC name of 4-(2-nitro-5-piperazin-1-ylphenyl)morpholine;hydrochloride?
The IUPAC name of 4-(2-nitro-5-piperazin-1-ylphenyl)morpholine;hydrochloride (CID 17354179) is 4-(2-nitro-5-piperazin-1-ylphenyl)morpholine;hydrochloride.
What is the SMILES notation for 4-(2-nitro-5-piperazin-1-ylphenyl)morpholine;hydrochloride?
The canonical SMILES for 4-(2-nitro-5-piperazin-1-ylphenyl)morpholine;hydrochloride is Cl.O=[N+]([O-])c1ccc(N2CCNCC2)cc1N1CCOCC1.
What is the InChIKey of 4-(2-nitro-5-piperazin-1-ylphenyl)morpholine;hydrochloride?
The InChIKey is NDSSXCUPJNWSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3.ClH/c19-18(20)13-2-1-12(16-5-3-15-4-6-16)11-14(13)17-7-9-21-10-8-17;/h1-2,11,15H,3-10H2;1H.
What are the key properties of 4-(2-nitro-5-piperazin-1-ylphenyl)morpholine;hydrochloride?
4-(2-nitro-5-piperazin-1-ylphenyl)morpholine;hydrochloride has a molecular weight of 328.80 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nitro-5-piperazin-1-ylphenyl)morpholine;hydrochloride is sourced from PubChem (CID 17354179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).