1-(4-hexoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one

C20H32N2O2 — CID 82263314

IUPAC1-(4-hexoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
SMILESCCCCCCOc1ccc(C(=O)C(C)CN2CCNCC2)cc1
InChIInChI=1S/C20H32N2O2/c1-3-4-5-6-15-24-19-9-7-18(8-10-19)20(23)17(2)16-22-13-11-21-12-14-22/h7-10,17,21H,3-6,11-16H2,1-2H3
InChIKeyPVYXSHDLDDXZAB-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.37
Rot. Bonds10

About 1-(4-hexoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one

1-(4-hexoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one (PubChem CID 82263314) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-(4-hexoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-hexoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
PubChem CID82263314
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name1-(4-hexoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
SMILESCCCCCCOc1ccc(C(=O)C(C)CN2CCNCC2)cc1
InChIInChI=1S/C20H32N2O2/c1-3-4-5-6-15-24-19-9-7-18(8-10-19)20(23)17(2)16-22-13-11-21-12-14-22/h7-10,17,21H,3-6,11-16H2,1-2H3
InChIKeyPVYXSHDLDDXZAB-UHFFFAOYSA-N
XLogP3.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.37
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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Related Compounds

1-(2-chloro-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82267669
2-amino-1-(4-decoxyphenyl)propan-1-one
CID 19897003
3-ethoxy-2-methyl-1-[4-(4-octoxyphenyl)phenyl]propan-1-one
CID 20670548
2,2-dichloro-1-(4-pentoxyphenyl)ethanone
CID 82627435
1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol
CID 65449830
1-(3-bromophenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 116924027
(2S,4S)-2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-propoxyphenyl)pentane-1,5-dione
CID 97292404
ethane;4-octoxybenzoic acid
CID 144740890
(4-hexoxybenzoyl) 4-hexoxybenzoate
CID 71407529
2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione
CID 3078330
1-[6-(4-pentan-2-ylphenoxy)hexyl]piperazine;hydrochloride
CID 54605432
2-methyl-1-(5-methyl-2-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82263426

Frequently Asked Questions

What is the IUPAC name of 1-(4-hexoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(4-hexoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one (CID 82263314) is 1-(4-hexoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-hexoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-hexoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one is CCCCCCOc1ccc(C(=O)C(C)CN2CCNCC2)cc1.
What is the InChIKey of 1-(4-hexoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one?
The InChIKey is PVYXSHDLDDXZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-3-4-5-6-15-24-19-9-7-18(8-10-19)20(23)17(2)16-22-13-11-21-12-14-22/h7-10,17,21H,3-6,11-16H2,1-2H3.
What are the key properties of 1-(4-hexoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one?
1-(4-hexoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one has a molecular weight of 332.49 g/mol, XLogP of 3.37, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82263314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).