2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-one

C19H29NO — CID 79059853

IUPAC2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-one
SMILESCCCc1ccc(C(=O)C(C)(CC)N2CCCCC2)cc1
InChIInChI=1S/C19H29NO/c1-4-9-16-10-12-17(13-11-16)18(21)19(3,5-2)20-14-7-6-8-15-20/h10-13H,4-9,14-15H2,1-3H3
InChIKeyJTKYCHFKFFRMRK-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.48
Rot. Bonds6

About 2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-one

2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-one (PubChem CID 79059853) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-one.

Molecular Properties

Compound Name2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-one
PubChem CID79059853
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-one
SMILESCCCc1ccc(C(=O)C(C)(CC)N2CCCCC2)cc1
InChIInChI=1S/C19H29NO/c1-4-9-16-10-12-17(13-11-16)18(21)19(3,5-2)20-14-7-6-8-15-20/h10-13H,4-9,14-15H2,1-3H3
InChIKeyJTKYCHFKFFRMRK-UHFFFAOYSA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 79060041
1-(4-ethoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 79069392
2-methyl-2-piperidin-1-yl-1-thiophen-3-ylbutan-1-one
CID 79065877
2-methyl-1-(3-methylphenyl)-2-piperidin-1-ylbutan-1-one
CID 79065128
1-(3,4-dimethoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 79058805
2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-ol
CID 79060249
1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219358
1-(3-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 79069623
2-methyl-2-piperidin-1-yl-1-[4-(sulfanylmethyl)phenyl]propan-1-one
CID 89279808
1-[4-[4-[2-(4-butylphenyl)ethynyl]phenyl]phenyl]-2-methyl-2-piperidin-1-ylpropan-1-one
CID 70848957
ethane;4-propylbenzoic acid
CID 91047964
2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one
CID 79069238

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-one?
The IUPAC name of 2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-one (CID 79059853) is 2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-one.
What is the SMILES notation for 2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-one?
The canonical SMILES for 2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-one is CCCc1ccc(C(=O)C(C)(CC)N2CCCCC2)cc1.
What is the InChIKey of 2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-one?
The InChIKey is JTKYCHFKFFRMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-4-9-16-10-12-17(13-11-16)18(21)19(3,5-2)20-14-7-6-8-15-20/h10-13H,4-9,14-15H2,1-3H3.
What are the key properties of 2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-one?
2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-one has a molecular weight of 287.45 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-one is sourced from PubChem (CID 79059853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).