2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]ethanamine

C20H26ClN3O — CID 10832341

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]ethanamine
SMILESCOc1cccc(CNCCN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C20H26ClN3O/c1-25-20-4-2-3-17(15-20)16-22-9-10-23-11-13-24(14-12-23)19-7-5-18(21)6-8-19/h2-8,15,22H,9-14,16H2,1H3
InChIKeyHANNICWFQHRKPX-UHFFFAOYSA-N
MW359.90 g/mol
LogP3.26
Rot. Bonds7

About 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]ethanamine

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]ethanamine (PubChem CID 10832341) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]ethanamine
PubChem CID10832341
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]ethanamine
SMILESCOc1cccc(CNCCN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C20H26ClN3O/c1-25-20-4-2-3-17(15-20)16-22-9-10-23-11-13-24(14-12-23)19-7-5-18(21)6-8-19/h2-8,15,22H,9-14,16H2,1H3
InChIKeyHANNICWFQHRKPX-UHFFFAOYSA-N
XLogP3.26
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]ethanamine (CID 10832341) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]ethanamine is COc1cccc(CNCCN2CCN(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]ethanamine?
The InChIKey is HANNICWFQHRKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O/c1-25-20-4-2-3-17(15-20)16-22-9-10-23-11-13-24(14-12-23)19-7-5-18(21)6-8-19/h2-8,15,22H,9-14,16H2,1H3.
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]ethanamine?
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]ethanamine has a molecular weight of 359.90 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 10832341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).