(4-aminophenyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone

C20H25N3O2 — CID 118666758

IUPAC(4-aminophenyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CCN2CCN(C(=O)c3ccc(N)cc3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-25-19-8-2-16(3-9-19)10-11-22-12-14-23(15-13-22)20(24)17-4-6-18(21)7-5-17/h2-9H,10-15,21H2,1H3
InChIKeyZSPXKICULQCDTJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.28
Rot. Bonds5

About (4-aminophenyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone

(4-aminophenyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone (PubChem CID 118666758) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (4-aminophenyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminophenyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
PubChem CID118666758
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(4-aminophenyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CCN2CCN(C(=O)c3ccc(N)cc3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-25-19-8-2-16(3-9-19)10-11-22-12-14-23(15-13-22)20(24)17-4-6-18(21)7-5-17/h2-9H,10-15,21H2,1H3
InChIKeyZSPXKICULQCDTJ-UHFFFAOYSA-N
XLogP2.28
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-aminophenyl)-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 18946357
(4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 828823
(4-ethylphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571378
[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone
CID 110602055
4-[2-(4-methoxyphenyl)ethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 51096013
(4-ethoxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571371
[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 113074511
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;oxalic acid
CID 17366074
(1-hydroxycyclopentyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 110908412
2-(4-chlorophenyl)-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 113074346
[4-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methylurea
CID 31730129
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 21275342

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (4-aminophenyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone (CID 118666758) is (4-aminophenyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-aminophenyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-aminophenyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone is COc1ccc(CCN2CCN(C(=O)c3ccc(N)cc3)CC2)cc1.
What is the InChIKey of (4-aminophenyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone?
The InChIKey is ZSPXKICULQCDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-19-8-2-16(3-9-19)10-11-22-12-14-23(15-13-22)20(24)17-4-6-18(21)7-5-17/h2-9H,10-15,21H2,1H3.
What are the key properties of (4-aminophenyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone?
(4-aminophenyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 118666758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).