2-octan-2-yloxy-1-piperazin-1-ylpropan-1-one

C15H30N2O2 — CID 43128277

IUPAC2-octan-2-yloxy-1-piperazin-1-ylpropan-1-one
SMILESCCCCCCC(C)OC(C)C(=O)N1CCNCC1
InChIInChI=1S/C15H30N2O2/c1-4-5-6-7-8-13(2)19-14(3)15(18)17-11-9-16-10-12-17/h13-14,16H,4-12H2,1-3H3
InChIKeyQYCPOFKRVCJFPG-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.18
Rot. Bonds8

About 2-octan-2-yloxy-1-piperazin-1-ylpropan-1-one

2-octan-2-yloxy-1-piperazin-1-ylpropan-1-one (PubChem CID 43128277) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-octan-2-yloxy-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-octan-2-yloxy-1-piperazin-1-ylpropan-1-one
PubChem CID43128277
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-octan-2-yloxy-1-piperazin-1-ylpropan-1-one
SMILESCCCCCCC(C)OC(C)C(=O)N1CCNCC1
InChIInChI=1S/C15H30N2O2/c1-4-5-6-7-8-13(2)19-14(3)15(18)17-11-9-16-10-12-17/h13-14,16H,4-12H2,1-3H3
InChIKeyQYCPOFKRVCJFPG-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.18
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

2-cyclohexyloxy-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]acetamide
CID 95604307
2-Methoxy-1-(piperazin-1-yl)propan-1-one
CID 10749719
2-cycloheptyloxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120813245
2-Ethoxy-1-piperazin-1-ylpropan-1-one
CID 13715566
2-Butoxy-1-piperazin-1-ylpropan-1-one
CID 13715568
2-Cyclohexyloxy-1-piperazin-1-ylethanone
CID 24691155
(2S)-2-methoxy-1-piperazin-1-ylpropan-1-one
CID 28207931
(2R)-2-methoxy-1-piperazin-1-ylpropan-1-one
CID 28207932
2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 53779296
N-(2-aminoethyl)-2-octan-2-yloxyacetamide
CID 61209438
N-(2-aminoethyl)-2-cyclooctyloxyacetamide
CID 154992925
2-[8-(Methylamino)octoxy]-1-piperidin-1-ylethanone
CID 156049325

Frequently Asked Questions

What is the IUPAC name of 2-octan-2-yloxy-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-octan-2-yloxy-1-piperazin-1-ylpropan-1-one (CID 43128277) is 2-octan-2-yloxy-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-octan-2-yloxy-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-octan-2-yloxy-1-piperazin-1-ylpropan-1-one is CCCCCCC(C)OC(C)C(=O)N1CCNCC1.
What is the InChIKey of 2-octan-2-yloxy-1-piperazin-1-ylpropan-1-one?
The InChIKey is QYCPOFKRVCJFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-5-6-7-8-13(2)19-14(3)15(18)17-11-9-16-10-12-17/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 2-octan-2-yloxy-1-piperazin-1-ylpropan-1-one?
2-octan-2-yloxy-1-piperazin-1-ylpropan-1-one has a molecular weight of 270.42 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octan-2-yloxy-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 43128277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).