1-(4-heptylphenyl)piperidin-4-one

C18H27NO — CID 59549861

IUPAC1-(4-heptylphenyl)piperidin-4-one
SMILESCCCCCCCc1ccc(N2CCC(=O)CC2)cc1
InChIInChI=1S/C18H27NO/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)19-14-12-18(20)13-15-19/h8-11H,2-7,12-15H2,1H3
InChIKeyXFLXDLCVHFFMOM-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.37
Rot. Bonds7

About 1-(4-heptylphenyl)piperidin-4-one

1-(4-heptylphenyl)piperidin-4-one (PubChem CID 59549861) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(4-heptylphenyl)piperidin-4-one.

Molecular Properties

Compound Name1-(4-heptylphenyl)piperidin-4-one
PubChem CID59549861
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-(4-heptylphenyl)piperidin-4-one
SMILESCCCCCCCc1ccc(N2CCC(=O)CC2)cc1
InChIInChI=1S/C18H27NO/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)19-14-12-18(20)13-15-19/h8-11H,2-7,12-15H2,1H3
InChIKeyXFLXDLCVHFFMOM-UHFFFAOYSA-N
XLogP4.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-pentylphenyl)pyrrolidine
CID 168512151
2-[4-(4-octylphenyl)piperazin-1-yl]acetic acid
CID 46199361
1-butyl-4-nonylbenzene
CID 59545302
2,5-bis(4-methylphenyl)-1,3-dioxane;1,4-bis(4-octylphenyl)piperazine
CID 91472105
1-(4-butylphenyl)sulfonylpiperidin-4-one
CID 59565035
4-(4-chlorophenyl)-1-(4-heptylphenyl)piperidin-4-ol
CID 59545535
2-(4-dodecylphenyl)acetaldehyde
CID 175020639
(2S)-1-(4-undecylphenyl)pyrrolidine-2-carboxylic acid
CID 101007817
(2S)-1-(4-tridecylphenyl)pyrrolidine-2-carboxylic acid
CID 101007794
N-(4-morpholin-4-ylphenyl)-4-pentylbenzenesulfonamide
CID 3812810
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415

Frequently Asked Questions

What is the IUPAC name of 1-(4-heptylphenyl)piperidin-4-one?
The IUPAC name of 1-(4-heptylphenyl)piperidin-4-one (CID 59549861) is 1-(4-heptylphenyl)piperidin-4-one.
What is the SMILES notation for 1-(4-heptylphenyl)piperidin-4-one?
The canonical SMILES for 1-(4-heptylphenyl)piperidin-4-one is CCCCCCCc1ccc(N2CCC(=O)CC2)cc1.
What is the InChIKey of 1-(4-heptylphenyl)piperidin-4-one?
The InChIKey is XFLXDLCVHFFMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)19-14-12-18(20)13-15-19/h8-11H,2-7,12-15H2,1H3.
What are the key properties of 1-(4-heptylphenyl)piperidin-4-one?
1-(4-heptylphenyl)piperidin-4-one has a molecular weight of 273.42 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-heptylphenyl)piperidin-4-one is sourced from PubChem (CID 59549861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).