4-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-one

C18H27NO — CID 70436740

IUPAC4-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-one
SMILESCC(C)c1ccc(C(=O)CCCN2CCCCC2)cc1
InChIInChI=1S/C18H27NO/c1-15(2)16-8-10-17(11-9-16)18(20)7-6-14-19-12-4-3-5-13-19/h8-11,15H,3-7,12-14H2,1-2H3
InChIKeyHDAKLLOIWJLVAQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.26
Rot. Bonds6

About 4-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-one

4-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-one (PubChem CID 70436740) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-one.

Molecular Properties

Compound Name4-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-one
PubChem CID70436740
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name4-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-one
SMILESCC(C)c1ccc(C(=O)CCCN2CCCCC2)cc1
InChIInChI=1S/C18H27NO/c1-15(2)16-8-10-17(11-9-16)18(20)7-6-14-19-12-4-3-5-13-19/h8-11,15H,3-7,12-14H2,1-2H3
InChIKeyHDAKLLOIWJLVAQ-UHFFFAOYSA-N
XLogP4.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
CID 23512927
5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide
CID 59840298
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
1-(4-ethynylphenyl)-5-piperidin-1-ylpentan-1-one
CID 158323866
5-(azepan-1-yl)-1-naphthalen-2-ylpentan-1-one
CID 59229826
6-oxo-6-(4-propan-2-ylphenyl)hexanamide
CID 174637388
6-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]hexan-1-one
CID 54339504
2-(4-methyl-1,4-diazepan-1-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 43228365
5-oxo-5-(4-propan-2-ylphenyl)pentanoate
CID 7022366
4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-propan-2-ylphenyl)butan-1-ol;4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-propan-2-ylphenyl)butan-1-one
CID 157213890
ethane;1-[3-(4-propan-2-ylphenyl)propyl]pyrrolidine
CID 153405634

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-one?
The IUPAC name of 4-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-one (CID 70436740) is 4-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-one.
What is the SMILES notation for 4-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-one?
The canonical SMILES for 4-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-one is CC(C)c1ccc(C(=O)CCCN2CCCCC2)cc1.
What is the InChIKey of 4-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-one?
The InChIKey is HDAKLLOIWJLVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-15(2)16-8-10-17(11-9-16)18(20)7-6-14-19-12-4-3-5-13-19/h8-11,15H,3-7,12-14H2,1-2H3.
What are the key properties of 4-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-one?
4-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-one has a molecular weight of 273.42 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-one is sourced from PubChem (CID 70436740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).