1-(4-tert-butylphenyl)-3-(1-methylpiperidin-4-yl)propan-1-one

C19H29NO — CID 147617765

IUPAC1-(4-tert-butylphenyl)-3-(1-methylpiperidin-4-yl)propan-1-one
SMILESCN1CCC(CCC(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H29NO/c1-19(2,3)17-8-6-16(7-9-17)18(21)10-5-15-11-13-20(4)14-12-15/h6-9,15H,5,10-14H2,1-4H3
InChIKeyGDGMGDVUCAIOPW-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.29
Rot. Bonds4

About 1-(4-tert-butylphenyl)-3-(1-methylpiperidin-4-yl)propan-1-one

1-(4-tert-butylphenyl)-3-(1-methylpiperidin-4-yl)propan-1-one (PubChem CID 147617765) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-(1-methylpiperidin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(1-methylpiperidin-4-yl)propan-1-one
PubChem CID147617765
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(4-tert-butylphenyl)-3-(1-methylpiperidin-4-yl)propan-1-one
SMILESCN1CCC(CCC(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H29NO/c1-19(2,3)17-8-6-16(7-9-17)18(21)10-5-15-11-13-20(4)14-12-15/h6-9,15H,5,10-14H2,1-4H3
InChIKeyGDGMGDVUCAIOPW-UHFFFAOYSA-N
XLogP4.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-3-[4-[hydroxy(diphenyl)methyl]cyclohexyl]propan-1-one
CID 118329134
1-(4-tert-butylphenyl)-3-(1,3-dioxolan-2-yl)propan-1-one
CID 2757286
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 63236356
N-(4-tert-butylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 110754677
4-tert-butyl-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 121450358
1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(1-methylpiperidin-4-yl)propan-1-one;dihydrochloride
CID 18620857
1-[6-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-3-(1-methylpiperidin-4-yl)propan-1-one;hydrochloride
CID 67404006
3-cyclopropyl-1-(4-fluorophenyl)propan-1-one
CID 18507946
4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62654126
1-(4-tert-butylphenyl)-2-cyclohexylethanone
CID 43337749
(2R)-2-(4-tert-butylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 99702455
(2S)-2-(4-tert-butylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 99702454

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(1-methylpiperidin-4-yl)propan-1-one?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(1-methylpiperidin-4-yl)propan-1-one (CID 147617765) is 1-(4-tert-butylphenyl)-3-(1-methylpiperidin-4-yl)propan-1-one.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(1-methylpiperidin-4-yl)propan-1-one?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(1-methylpiperidin-4-yl)propan-1-one is CN1CCC(CCC(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(1-methylpiperidin-4-yl)propan-1-one?
The InChIKey is GDGMGDVUCAIOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-19(2,3)17-8-6-16(7-9-17)18(21)10-5-15-11-13-20(4)14-12-15/h6-9,15H,5,10-14H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-(1-methylpiperidin-4-yl)propan-1-one?
1-(4-tert-butylphenyl)-3-(1-methylpiperidin-4-yl)propan-1-one has a molecular weight of 287.45 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-(1-methylpiperidin-4-yl)propan-1-one is sourced from PubChem (CID 147617765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).