[3-(2-aminoethoxy)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone

C16H25N3O3 — CID 126428666

IUPAC[3-(2-aminoethoxy)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
SMILESCN1CCN(C(=O)c2cccc(OCCN)c2)C[C@H]1CCO
InChIInChI=1S/C16H25N3O3/c1-18-7-8-19(12-14(18)5-9-20)16(21)13-3-2-4-15(11-13)22-10-6-17/h2-4,11,14,20H,5-10,12,17H2,1H3/t14-/m1/s1
InChIKeyNTKLAFMHXRSQON-CQSZACIVSA-N
MW307.39 g/mol
LogP0.16
Rot. Bonds6

About [3-(2-aminoethoxy)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone

[3-(2-aminoethoxy)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone (PubChem CID 126428666) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is [3-(2-aminoethoxy)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-aminoethoxy)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
PubChem CID126428666
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name[3-(2-aminoethoxy)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
SMILESCN1CCN(C(=O)c2cccc(OCCN)c2)C[C@H]1CCO
InChIInChI=1S/C16H25N3O3/c1-18-7-8-19(12-14(18)5-9-20)16(21)13-3-2-4-15(11-13)22-10-6-17/h2-4,11,14,20H,5-10,12,17H2,1H3/t14-/m1/s1
InChIKeyNTKLAFMHXRSQON-CQSZACIVSA-N
XLogP0.16
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-(2-aminoethoxy)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(2-ethoxyethoxy)phenyl]-[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
CID 135107435
[3-(2-aminoethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 28761599
[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(1H-indol-6-yl)phenyl]methanone
CID 118769094
[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 95860613
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 114802085
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(3-methoxypropoxy)phenyl]methanone
CID 119484172
[3-(2-aminoethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone;hydrochloride
CID 120727696
[(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 81469149
[3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[6-(4-methylsulfanylphenyl)naphthalen-2-yl]methanone
CID 172655751
[3-(2-aminoethoxy)phenyl]-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]methanone
CID 119059044
3-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 102823660

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethoxy)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone?
The IUPAC name of [3-(2-aminoethoxy)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone (CID 126428666) is [3-(2-aminoethoxy)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone.
What is the SMILES notation for [3-(2-aminoethoxy)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone?
The canonical SMILES for [3-(2-aminoethoxy)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone is CN1CCN(C(=O)c2cccc(OCCN)c2)C[C@H]1CCO.
What is the InChIKey of [3-(2-aminoethoxy)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone?
The InChIKey is NTKLAFMHXRSQON-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-18-7-8-19(12-14(18)5-9-20)16(21)13-3-2-4-15(11-13)22-10-6-17/h2-4,11,14,20H,5-10,12,17H2,1H3/t14-/m1/s1.
What are the key properties of [3-(2-aminoethoxy)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone?
[3-(2-aminoethoxy)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone has a molecular weight of 307.39 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethoxy)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 126428666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).