2-[(2R)-4-(4-amino-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanol

C14H23N3O2 — CID 68591948

IUPAC2-[(2R)-4-(4-amino-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanol
SMILESCOc1cc(N2CCN(CCO)[C@H](C)C2)ccc1N
InChIInChI=1S/C14H23N3O2/c1-11-10-17(6-5-16(11)7-8-18)12-3-4-13(15)14(9-12)19-2/h3-4,9,11,18H,5-8,10,15H2,1-2H3/t11-/m1/s1
InChIKeyCNOVNJKJZXBPKY-LLVKDONJSA-N
MW265.36 g/mol
LogP0.78
Rot. Bonds4

About 2-[(2R)-4-(4-amino-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanol

2-[(2R)-4-(4-amino-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanol (PubChem CID 68591948) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[(2R)-4-(4-amino-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-(4-amino-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanol
PubChem CID68591948
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[(2R)-4-(4-amino-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanol
SMILESCOc1cc(N2CCN(CCO)[C@H](C)C2)ccc1N
InChIInChI=1S/C14H23N3O2/c1-11-10-17(6-5-16(11)7-8-18)12-3-4-13(15)14(9-12)19-2/h3-4,9,11,18H,5-8,10,15H2,1-2H3/t11-/m1/s1
InChIKeyCNOVNJKJZXBPKY-LLVKDONJSA-N
XLogP0.78
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.78
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-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxyaniline
CID 63677784
(2S)-1-(2-chloroethyl)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazine
CID 143061845
1-(4-amino-3-methoxyphenyl)-4-methylpiperidin-3-ol
CID 102955530
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxyaniline
CID 70565510
2-methoxy-4-[4-(2-methylsulfonylethyl)-3-propan-2-ylpiperazin-1-yl]aniline
CID 77158182
2-methoxy-4-[(3S)-4-(2-methylsulfonylethyl)-3-propan-2-ylpiperazin-1-yl]aniline
CID 66650024
2-methoxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 55231767
1-[4-(4-amino-3-methoxyphenyl)-6-hydroxy-1,4-diazepan-1-yl]ethanone
CID 68593370
(3S)-1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 89285568
4-[4-(2-fluoroethyl)piperazin-1-yl]-2-methoxyaniline
CID 88571838
4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxyaniline
CID 103530677
4-(4-cyclohexylpiperazin-1-yl)-2-methoxyaniline
CID 58608385

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(4-amino-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanol?
The IUPAC name of 2-[(2R)-4-(4-amino-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanol (CID 68591948) is 2-[(2R)-4-(4-amino-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-(4-amino-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-(4-amino-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanol is COc1cc(N2CCN(CCO)[C@H](C)C2)ccc1N.
What is the InChIKey of 2-[(2R)-4-(4-amino-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanol?
The InChIKey is CNOVNJKJZXBPKY-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-10-17(6-5-16(11)7-8-18)12-3-4-13(15)14(9-12)19-2/h3-4,9,11,18H,5-8,10,15H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-[(2R)-4-(4-amino-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanol?
2-[(2R)-4-(4-amino-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanol has a molecular weight of 265.36 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(4-amino-3-methoxyphenyl)-2-methylpiperazin-1-yl]ethanol is sourced from PubChem (CID 68591948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).