N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]hydroxylamine

C13H21N3O — CID 143042806

IUPACN-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]hydroxylamine
SMILESCN1CCN(CCc2ccc(NO)cc2)CC1
InChIInChI=1S/C13H21N3O/c1-15-8-10-16(11-9-15)7-6-12-2-4-13(14-17)5-3-12/h2-5,14,17H,6-11H2,1H3
InChIKeyMDCXQSGOMVUMCZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.28
Rot. Bonds4

About N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]hydroxylamine

N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]hydroxylamine (PubChem CID 143042806) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]hydroxylamine
PubChem CID143042806
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]hydroxylamine
SMILESCN1CCN(CCc2ccc(NO)cc2)CC1
InChIInChI=1S/C13H21N3O/c1-15-8-10-16(11-9-15)7-6-12-2-4-13(14-17)5-3-12/h2-5,14,17H,6-11H2,1H3
InChIKeyMDCXQSGOMVUMCZ-UHFFFAOYSA-N
XLogP1.28
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-iodophenyl)ethyl]-4-methylpiperazine
CID 134846491
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone
CID 117368603
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]guanidine
CID 59777044
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 86897509
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
1-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpiperazine
CID 136575376
N-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 148502419
1-[4-(4-methylpiperazin-1-yl)butan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 86796852
1-[(2R)-4-(4-methylpiperazin-1-yl)butan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 99785617
1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine
CID 70460835
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropane-1-carboxylic acid
CID 117466051
2,2-dimethyl-5-[[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]methylidene]-1,3-dioxane-4,6-dione
CID 168538214

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]hydroxylamine?
The IUPAC name of N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]hydroxylamine (CID 143042806) is N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]hydroxylamine.
What is the SMILES notation for N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]hydroxylamine?
The canonical SMILES for N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]hydroxylamine is CN1CCN(CCc2ccc(NO)cc2)CC1.
What is the InChIKey of N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]hydroxylamine?
The InChIKey is MDCXQSGOMVUMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-15-8-10-16(11-9-15)7-6-12-2-4-13(14-17)5-3-12/h2-5,14,17H,6-11H2,1H3.
What are the key properties of N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]hydroxylamine?
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]hydroxylamine has a molecular weight of 235.33 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]hydroxylamine is sourced from PubChem (CID 143042806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).