1-cyclopropyl-2-(2-piperidin-4-yl-5-propan-2-ylphenyl)ethanone

C19H27NO — CID 138530758

IUPAC1-cyclopropyl-2-(2-piperidin-4-yl-5-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C2CCNCC2)c(CC(=O)C2CC2)c1
InChIInChI=1S/C19H27NO/c1-13(2)16-5-6-18(14-7-9-20-10-8-14)17(11-16)12-19(21)15-3-4-15/h5-6,11,13-15,20H,3-4,7-10,12H2,1-2H3
InChIKeyYHHAAXVLDHFVBD-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.80
Rot. Bonds5

About 1-cyclopropyl-2-(2-piperidin-4-yl-5-propan-2-ylphenyl)ethanone

1-cyclopropyl-2-(2-piperidin-4-yl-5-propan-2-ylphenyl)ethanone (PubChem CID 138530758) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-piperidin-4-yl-5-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-piperidin-4-yl-5-propan-2-ylphenyl)ethanone
PubChem CID138530758
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name1-cyclopropyl-2-(2-piperidin-4-yl-5-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C2CCNCC2)c(CC(=O)C2CC2)c1
InChIInChI=1S/C19H27NO/c1-13(2)16-5-6-18(14-7-9-20-10-8-14)17(11-16)12-19(21)15-3-4-15/h5-6,11,13-15,20H,3-4,7-10,12H2,1-2H3
InChIKeyYHHAAXVLDHFVBD-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-piperidin-4-yl-5-propan-2-ylphenyl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(2-piperidin-4-yl-5-propan-2-ylphenyl)ethanone (CID 138530758) is 1-cyclopropyl-2-(2-piperidin-4-yl-5-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(2-piperidin-4-yl-5-propan-2-ylphenyl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(2-piperidin-4-yl-5-propan-2-ylphenyl)ethanone is CC(C)c1ccc(C2CCNCC2)c(CC(=O)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-2-(2-piperidin-4-yl-5-propan-2-ylphenyl)ethanone?
The InChIKey is YHHAAXVLDHFVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-13(2)16-5-6-18(14-7-9-20-10-8-14)17(11-16)12-19(21)15-3-4-15/h5-6,11,13-15,20H,3-4,7-10,12H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-(2-piperidin-4-yl-5-propan-2-ylphenyl)ethanone?
1-cyclopropyl-2-(2-piperidin-4-yl-5-propan-2-ylphenyl)ethanone has a molecular weight of 285.43 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-piperidin-4-yl-5-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 138530758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).