1-(5-methyl-2-piperidin-1-ylphenyl)ethanone

C14H19NO — CID 117309750

IUPAC1-(5-methyl-2-piperidin-1-ylphenyl)ethanone
SMILESCC(=O)c1cc(C)ccc1N1CCCCC1
InChIInChI=1S/C14H19NO/c1-11-6-7-14(13(10-11)12(2)16)15-8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyHVUHGFWQEWHSNI-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.19
Rot. Bonds2

About 1-(5-methyl-2-piperidin-1-ylphenyl)ethanone

1-(5-methyl-2-piperidin-1-ylphenyl)ethanone (PubChem CID 117309750) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(5-methyl-2-piperidin-1-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-2-piperidin-1-ylphenyl)ethanone
PubChem CID117309750
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(5-methyl-2-piperidin-1-ylphenyl)ethanone
SMILESCC(=O)c1cc(C)ccc1N1CCCCC1
InChIInChI=1S/C14H19NO/c1-11-6-7-14(13(10-11)12(2)16)15-8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyHVUHGFWQEWHSNI-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methyl-2-morpholin-4-ylphenyl)ethanone
CID 117312505
1-(4-methyl-2-prop-1-en-2-ylphenyl)pyrrolidine
CID 145007823
1-(5-methoxy-2-piperidin-1-ylphenyl)ethanone
CID 117338408
4-methyl-2-piperidin-1-ylbenzoic acid
CID 62710167
2-(4-acetyl-1,4-diazepan-1-yl)-5-methylbenzoic acid
CID 62515359
1-(5-methyl-2-pyrrolidin-1-ylphenyl)propan-2-one
CID 117309875
5-methyl-2-piperidin-1-ylbenzenecarboximidamide
CID 107930307
2-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]propanoic acid
CID 119348543
5-(3-acetyl-2,5-dimethylpyrrol-1-yl)-2-pyrrolidin-1-ylbenzoic acid
CID 23008610
1-(2-ethyl-4-methylphenyl)piperidine
CID 90278771
5-methyl-2-morpholin-4-ylbenzoic acid
CID 62516703
N-(6-amino-3-pyridinyl)-5-methyl-2-pyrrolidin-1-ylbenzamide
CID 119516134

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-piperidin-1-ylphenyl)ethanone?
The IUPAC name of 1-(5-methyl-2-piperidin-1-ylphenyl)ethanone (CID 117309750) is 1-(5-methyl-2-piperidin-1-ylphenyl)ethanone.
What is the SMILES notation for 1-(5-methyl-2-piperidin-1-ylphenyl)ethanone?
The canonical SMILES for 1-(5-methyl-2-piperidin-1-ylphenyl)ethanone is CC(=O)c1cc(C)ccc1N1CCCCC1.
What is the InChIKey of 1-(5-methyl-2-piperidin-1-ylphenyl)ethanone?
The InChIKey is HVUHGFWQEWHSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-6-7-14(13(10-11)12(2)16)15-8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(5-methyl-2-piperidin-1-ylphenyl)ethanone?
1-(5-methyl-2-piperidin-1-ylphenyl)ethanone has a molecular weight of 217.31 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-piperidin-1-ylphenyl)ethanone is sourced from PubChem (CID 117309750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).