1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone

C16H32N2O2 — CID 171735482

IUPAC1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCCCCCCOC(C)C)CC1
InChIInChI=1S/C16H32N2O2/c1-15(2)20-14-8-6-4-5-7-9-17-10-12-18(13-11-17)16(3)19/h15H,4-14H2,1-3H3
InChIKeyMFLVVEXJHHCOAG-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.53
Rot. Bonds9

About 1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone

1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone (PubChem CID 171735482) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone
PubChem CID171735482
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCCCCCCOC(C)C)CC1
InChIInChI=1S/C16H32N2O2/c1-15(2)20-14-8-6-4-5-7-9-17-10-12-18(13-11-17)16(3)19/h15H,4-14H2,1-3H3
InChIKeyMFLVVEXJHHCOAG-UHFFFAOYSA-N
XLogP2.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone
CID 94265647
1-(4-propan-2-yloxybutyl)pyrrolidine
CID 20742855
2-morpholin-4-yl-1-[4-(4-propan-2-yloxybutyl)piperazin-1-yl]ethanone
CID 176777461
N-methyl-N-propylpropan-1-amine;propane;1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone
CID 169268423
1-(6-propan-2-yloxyhexyl)piperazine
CID 148670601
ethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone
CID 169214701
1-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]ethanone
CID 59289508
[4-(2-methylpropoxymethyl)phenyl]-[4-(5-propan-2-yloxypentyl)piperazin-1-yl]methanone
CID 170359804
1-[4-(6-methoxyhexyl)piperazin-1-yl]-2-methylpropan-1-one
CID 165146296
1-piperazin-1-yl-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone
CID 170569689
1-[4-(2-pentan-2-yloxyethyl)piperazin-1-yl]ethanone
CID 129082774
4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-amine
CID 54958213

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone (CID 171735482) is 1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(CCCCCCCOC(C)C)CC1.
What is the InChIKey of 1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone?
The InChIKey is MFLVVEXJHHCOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-15(2)20-14-8-6-4-5-7-9-17-10-12-18(13-11-17)16(3)19/h15H,4-14H2,1-3H3.
What are the key properties of 1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone?
1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone has a molecular weight of 284.44 g/mol, XLogP of 2.53, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 171735482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).