5-chloro-2-(4-hydroxypiperazin-1-yl)-4-methoxyaniline

C11H16ClN3O2 — CID 143061730

IUPAC5-chloro-2-(4-hydroxypiperazin-1-yl)-4-methoxyaniline
SMILESCOc1cc(N2CCN(O)CC2)c(N)cc1Cl
InChIInChI=1S/C11H16ClN3O2/c1-17-11-7-10(9(13)6-8(11)12)14-2-4-15(16)5-3-14/h6-7,16H,2-5,13H2,1H3
InChIKeyNDDYKQCJYJDEEM-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.44
Rot. Bonds2

About 5-chloro-2-(4-hydroxypiperazin-1-yl)-4-methoxyaniline

5-chloro-2-(4-hydroxypiperazin-1-yl)-4-methoxyaniline (PubChem CID 143061730) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-2-(4-hydroxypiperazin-1-yl)-4-methoxyaniline.

Molecular Properties

Compound Name5-chloro-2-(4-hydroxypiperazin-1-yl)-4-methoxyaniline
PubChem CID143061730
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name5-chloro-2-(4-hydroxypiperazin-1-yl)-4-methoxyaniline
SMILESCOc1cc(N2CCN(O)CC2)c(N)cc1Cl
InChIInChI=1S/C11H16ClN3O2/c1-17-11-7-10(9(13)6-8(11)12)14-2-4-15(16)5-3-14/h6-7,16H,2-5,13H2,1H3
InChIKeyNDDYKQCJYJDEEM-UHFFFAOYSA-N
XLogP1.44
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,5-dimethoxy-2-piperidin-1-ylaniline
CID 616846
5-chloro-2-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]aniline
CID 130270914
1-[4-(2-amino-4-fluoro-5-methoxyphenyl)piperazin-1-yl]ethanone
CID 55215680
(2-amino-4-chloro-5-methoxyphenyl)methanol
CID 130139409
1-(4-chloro-2,5-dimethoxyphenyl)azetidin-3-amine
CID 117002859
2-(azepan-1-yl)-5-fluoro-4-methoxyaniline
CID 55215490
1-[4-(4-chloro-2,5-dimethoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 113080545
8-(2,4-dichloro-5-methoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 68555817
1-(2-amino-4-fluoro-5-methoxyphenyl)-4-methylpiperidin-4-ol
CID 81097828
N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 50881913
5-fluoro-4-methoxy-2-piperazin-1-ylaniline
CID 63597500
1-(4-chloro-2,5-dimethoxyphenyl)-4-propylsulfonylpiperazine
CID 113080589

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-hydroxypiperazin-1-yl)-4-methoxyaniline?
The IUPAC name of 5-chloro-2-(4-hydroxypiperazin-1-yl)-4-methoxyaniline (CID 143061730) is 5-chloro-2-(4-hydroxypiperazin-1-yl)-4-methoxyaniline.
What is the SMILES notation for 5-chloro-2-(4-hydroxypiperazin-1-yl)-4-methoxyaniline?
The canonical SMILES for 5-chloro-2-(4-hydroxypiperazin-1-yl)-4-methoxyaniline is COc1cc(N2CCN(O)CC2)c(N)cc1Cl.
What is the InChIKey of 5-chloro-2-(4-hydroxypiperazin-1-yl)-4-methoxyaniline?
The InChIKey is NDDYKQCJYJDEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-17-11-7-10(9(13)6-8(11)12)14-2-4-15(16)5-3-14/h6-7,16H,2-5,13H2,1H3.
What are the key properties of 5-chloro-2-(4-hydroxypiperazin-1-yl)-4-methoxyaniline?
5-chloro-2-(4-hydroxypiperazin-1-yl)-4-methoxyaniline has a molecular weight of 257.72 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-hydroxypiperazin-1-yl)-4-methoxyaniline is sourced from PubChem (CID 143061730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).