3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one

C18H27NO — CID 62614079

IUPAC3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one
SMILESCC(C)(C)C1CCN(CCC(=O)c2ccccc2)CC1
InChIInChI=1S/C18H27NO/c1-18(2,3)16-9-12-19(13-10-16)14-11-17(20)15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3
InChIKeyJUWDJYBIJHFVPM-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.02
Rot. Bonds4

About 3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one

3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one (PubChem CID 62614079) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one
PubChem CID62614079
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one
SMILESCC(C)(C)C1CCN(CCC(=O)c2ccccc2)CC1
InChIInChI=1S/C18H27NO/c1-18(2,3)16-9-12-19(13-10-16)14-11-17(20)15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3
InChIKeyJUWDJYBIJHFVPM-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride
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1-phenyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
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3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one
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ethane;1-phenyl-3-thiomorpholin-4-ylpropan-1-one
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3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-one
CID 112571405
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-phenylpropan-1-one
CID 82691756
3-(4-cyclohexylpiperazin-1-yl)-1-phenylpropan-1-one
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3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one
CID 63160113
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CID 103935591

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one?
The IUPAC name of 3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one (CID 62614079) is 3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one is CC(C)(C)C1CCN(CCC(=O)c2ccccc2)CC1.
What is the InChIKey of 3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one?
The InChIKey is JUWDJYBIJHFVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-18(2,3)16-9-12-19(13-10-16)14-11-17(20)15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3.
What are the key properties of 3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one?
3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one has a molecular weight of 273.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 62614079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).