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

C18H27NO — CID 116563481

IUPAC4-piperidin-4-yl-1-(4-propan-2-ylphenyl)butan-2-one
SMILESCC(C)c1ccc(CC(=O)CCC2CCNCC2)cc1
InChIInChI=1S/C18H27NO/c1-14(2)17-6-3-16(4-7-17)13-18(20)8-5-15-9-11-19-12-10-15/h3-4,6-7,14-15,19H,5,8-13H2,1-2H3
InChIKeyVVQPDIKNYVJYRB-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.70
Rot. Bonds6

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

4-piperidin-4-yl-1-(4-propan-2-ylphenyl)butan-2-one (PubChem CID 116563481) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-piperidin-4-yl-1-(4-propan-2-ylphenyl)butan-2-one.

Molecular Properties

Compound Name4-piperidin-4-yl-1-(4-propan-2-ylphenyl)butan-2-one
PubChem CID116563481
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name4-piperidin-4-yl-1-(4-propan-2-ylphenyl)butan-2-one
SMILESCC(C)c1ccc(CC(=O)CCC2CCNCC2)cc1
InChIInChI=1S/C18H27NO/c1-14(2)17-6-3-16(4-7-17)13-18(20)8-5-15-9-11-19-12-10-15/h3-4,6-7,14-15,19H,5,8-13H2,1-2H3
InChIKeyVVQPDIKNYVJYRB-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-piperidin-4-yl-1-(4-propan-2-ylphenyl)propan-1-one
CID 116563485
1-(4-hydroxyphenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606055
1-(3-bromo-4-methoxyphenyl)-4-piperidin-4-ylbutan-2-one
CID 116563510
1-(3,4-dimethylphenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606064
4-piperidin-3-yl-1-(4-propan-2-ylphenyl)pentan-2-one
CID 116594441
4-[2-(4-propan-2-ylphenoxy)ethyl]piperidine
CID 29077906
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 61030445
5-methyl-1-piperidin-4-ylheptan-3-one
CID 116563326
1-cyclopentylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-one
CID 65139009
1-(2,3-dihydro-1H-inden-5-yl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606081
1-(oxolan-3-yl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 103986247
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
CID 119686100

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-1-(4-propan-2-ylphenyl)butan-2-one?
The IUPAC name of 4-piperidin-4-yl-1-(4-propan-2-ylphenyl)butan-2-one (CID 116563481) is 4-piperidin-4-yl-1-(4-propan-2-ylphenyl)butan-2-one.
What is the SMILES notation for 4-piperidin-4-yl-1-(4-propan-2-ylphenyl)butan-2-one?
The canonical SMILES for 4-piperidin-4-yl-1-(4-propan-2-ylphenyl)butan-2-one is CC(C)c1ccc(CC(=O)CCC2CCNCC2)cc1.
What is the InChIKey of 4-piperidin-4-yl-1-(4-propan-2-ylphenyl)butan-2-one?
The InChIKey is VVQPDIKNYVJYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-14(2)17-6-3-16(4-7-17)13-18(20)8-5-15-9-11-19-12-10-15/h3-4,6-7,14-15,19H,5,8-13H2,1-2H3.
What are the key properties of 4-piperidin-4-yl-1-(4-propan-2-ylphenyl)butan-2-one?
4-piperidin-4-yl-1-(4-propan-2-ylphenyl)butan-2-one has a molecular weight of 273.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-1-(4-propan-2-ylphenyl)butan-2-one is sourced from PubChem (CID 116563481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).