1-(4-amino-3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)piperidin-4-ol

C17H28N4O2 — CID 145320418

IUPAC1-(4-amino-3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)piperidin-4-ol
SMILESCOc1cc(N2CCC(O)(N3CCN(C)CC3)CC2)ccc1N
InChIInChI=1S/C17H28N4O2/c1-19-9-11-21(12-10-19)17(22)5-7-20(8-6-17)14-3-4-15(18)16(13-14)23-2/h3-4,13,22H,5-12,18H2,1-2H3
InChIKeyWKMLBZNLQBKNFW-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.81
Rot. Bonds3

About 1-(4-amino-3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)piperidin-4-ol

1-(4-amino-3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)piperidin-4-ol (PubChem CID 145320418) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(4-amino-3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(4-amino-3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)piperidin-4-ol
PubChem CID145320418
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-(4-amino-3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)piperidin-4-ol
SMILESCOc1cc(N2CCC(O)(N3CCN(C)CC3)CC2)ccc1N
InChIInChI=1S/C17H28N4O2/c1-19-9-11-21(12-10-19)17(22)5-7-20(8-6-17)14-3-4-15(18)16(13-14)23-2/h3-4,13,22H,5-12,18H2,1-2H3
InChIKeyWKMLBZNLQBKNFW-UHFFFAOYSA-N
XLogP0.81
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4,4-difluoropiperidin-1-yl)-2-methoxyaniline
CID 57416121
2-methoxy-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)aniline
CID 141427252
9-(4-amino-3-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
CID 135305096
2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline;molecular hydrogen
CID 144787336
1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
2-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)aniline
CID 63678193
1-(4-amino-3-ethoxyphenyl)-4-methylpiperidin-4-ol
CID 81097075
4-[4-(2-fluoroethyl)piperazin-1-yl]-2-methoxyaniline
CID 88571838
2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline;tris(2,2,2-trifluoroacetic acid)
CID 86677522
[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]boronic acid
CID 124926588
1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 57416153
1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
CID 143061679

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)piperidin-4-ol?
The IUPAC name of 1-(4-amino-3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)piperidin-4-ol (CID 145320418) is 1-(4-amino-3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)piperidin-4-ol.
What is the SMILES notation for 1-(4-amino-3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)piperidin-4-ol?
The canonical SMILES for 1-(4-amino-3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)piperidin-4-ol is COc1cc(N2CCC(O)(N3CCN(C)CC3)CC2)ccc1N.
What is the InChIKey of 1-(4-amino-3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)piperidin-4-ol?
The InChIKey is WKMLBZNLQBKNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-19-9-11-21(12-10-19)17(22)5-7-20(8-6-17)14-3-4-15(18)16(13-14)23-2/h3-4,13,22H,5-12,18H2,1-2H3.
What are the key properties of 1-(4-amino-3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)piperidin-4-ol?
1-(4-amino-3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)piperidin-4-ol has a molecular weight of 320.44 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)piperidin-4-ol is sourced from PubChem (CID 145320418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).