1-[(2-propan-2-ylphenyl)methyl]piperidin-4-one

C15H21NO — CID 58774771

IUPAC1-[(2-propan-2-ylphenyl)methyl]piperidin-4-one
SMILESCC(C)c1ccccc1CN1CCC(=O)CC1
InChIInChI=1S/C15H21NO/c1-12(2)15-6-4-3-5-13(15)11-16-9-7-14(17)8-10-16/h3-6,12H,7-11H2,1-2H3
InChIKeyAPPWWZHWOGVKLK-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.97
Rot. Bonds3

About 1-[(2-propan-2-ylphenyl)methyl]piperidin-4-one

1-[(2-propan-2-ylphenyl)methyl]piperidin-4-one (PubChem CID 58774771) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[(2-propan-2-ylphenyl)methyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(2-propan-2-ylphenyl)methyl]piperidin-4-one
PubChem CID58774771
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[(2-propan-2-ylphenyl)methyl]piperidin-4-one
SMILESCC(C)c1ccccc1CN1CCC(=O)CC1
InChIInChI=1S/C15H21NO/c1-12(2)15-6-4-3-5-13(15)11-16-9-7-14(17)8-10-16/h3-6,12H,7-11H2,1-2H3
InChIKeyAPPWWZHWOGVKLK-UHFFFAOYSA-N
XLogP2.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-propan-2-ylphenyl)methyl]piperidin-4-one?
The IUPAC name of 1-[(2-propan-2-ylphenyl)methyl]piperidin-4-one (CID 58774771) is 1-[(2-propan-2-ylphenyl)methyl]piperidin-4-one.
What is the SMILES notation for 1-[(2-propan-2-ylphenyl)methyl]piperidin-4-one?
The canonical SMILES for 1-[(2-propan-2-ylphenyl)methyl]piperidin-4-one is CC(C)c1ccccc1CN1CCC(=O)CC1.
What is the InChIKey of 1-[(2-propan-2-ylphenyl)methyl]piperidin-4-one?
The InChIKey is APPWWZHWOGVKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12(2)15-6-4-3-5-13(15)11-16-9-7-14(17)8-10-16/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 1-[(2-propan-2-ylphenyl)methyl]piperidin-4-one?
1-[(2-propan-2-ylphenyl)methyl]piperidin-4-one has a molecular weight of 231.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propan-2-ylphenyl)methyl]piperidin-4-one is sourced from PubChem (CID 58774771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).