3-(2-pentoxyphenyl)-1-piperazin-1-ylpropan-1-one

C18H28N2O2 — CID 83954594

IUPAC3-(2-pentoxyphenyl)-1-piperazin-1-ylpropan-1-one
SMILESCCCCCOc1ccccc1CCC(=O)N1CCNCC1
InChIInChI=1S/C18H28N2O2/c1-2-3-6-15-22-17-8-5-4-7-16(17)9-10-18(21)20-13-11-19-12-14-20/h4-5,7-8,19H,2-3,6,9-15H2,1H3
InChIKeyVFKNXYWTSLPHAW-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.62
Rot. Bonds8

About 3-(2-pentoxyphenyl)-1-piperazin-1-ylpropan-1-one

3-(2-pentoxyphenyl)-1-piperazin-1-ylpropan-1-one (PubChem CID 83954594) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-(2-pentoxyphenyl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-pentoxyphenyl)-1-piperazin-1-ylpropan-1-one
PubChem CID83954594
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-(2-pentoxyphenyl)-1-piperazin-1-ylpropan-1-one
SMILESCCCCCOc1ccccc1CCC(=O)N1CCNCC1
InChIInChI=1S/C18H28N2O2/c1-2-3-6-15-22-17-8-5-4-7-16(17)9-10-18(21)20-13-11-19-12-14-20/h4-5,7-8,19H,2-3,6,9-15H2,1H3
InChIKeyVFKNXYWTSLPHAW-UHFFFAOYSA-N
XLogP2.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,4-diazepan-1-yl)-3-(2-methoxyphenyl)propan-1-one
CID 82090865
4-(2-methylphenoxy)-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119403750
4-(4-pentoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83932566
1-(4-acetyl-1,4-diazepan-1-yl)-3-(2-ethoxyphenyl)propan-1-one
CID 134061684
3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane
CID 143559381
4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933517
2-[2-(hydroxymethyl)phenoxy]-1-piperazin-1-ylethanone
CID 63653956
3-(5-chloro-4-methyl-2-propoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 83937750
3-pentoxy-1-piperazin-1-ylpropan-1-one
CID 62544248
2-(2-pentoxyphenyl)ethanol
CID 91657515
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653

Frequently Asked Questions

What is the IUPAC name of 3-(2-pentoxyphenyl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(2-pentoxyphenyl)-1-piperazin-1-ylpropan-1-one (CID 83954594) is 3-(2-pentoxyphenyl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2-pentoxyphenyl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(2-pentoxyphenyl)-1-piperazin-1-ylpropan-1-one is CCCCCOc1ccccc1CCC(=O)N1CCNCC1.
What is the InChIKey of 3-(2-pentoxyphenyl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is VFKNXYWTSLPHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-2-3-6-15-22-17-8-5-4-7-16(17)9-10-18(21)20-13-11-19-12-14-20/h4-5,7-8,19H,2-3,6,9-15H2,1H3.
What are the key properties of 3-(2-pentoxyphenyl)-1-piperazin-1-ylpropan-1-one?
3-(2-pentoxyphenyl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 304.43 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pentoxyphenyl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 83954594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).