1-[4-(4-methylanilino)piperidin-1-yl]ethanone

C14H20N2O — CID 5307205

IUPAC1-[4-(4-methylanilino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ccc(C)cc2)CC1
InChIInChI=1S/C14H20N2O/c1-11-3-5-13(6-4-11)15-14-7-9-16(10-8-14)12(2)17/h3-6,14-15H,7-10H2,1-2H3
InChIKeyBYSSHJACTSXIPT-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.42
Rot. Bonds2

About 1-[4-(4-methylanilino)piperidin-1-yl]ethanone

1-[4-(4-methylanilino)piperidin-1-yl]ethanone (PubChem CID 5307205) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[4-(4-methylanilino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methylanilino)piperidin-1-yl]ethanone
PubChem CID5307205
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[4-(4-methylanilino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ccc(C)cc2)CC1
InChIInChI=1S/C14H20N2O/c1-11-3-5-13(6-4-11)15-14-7-9-16(10-8-14)12(2)17/h3-6,14-15H,7-10H2,1-2H3
InChIKeyBYSSHJACTSXIPT-UHFFFAOYSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-acetylpiperidin-4-yl)amino]benzoic acid
CID 43774308
methyl 4-[(1-acetylpiperidin-4-yl)amino]benzoate
CID 43774274
ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone
CID 144655325
(4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone
CID 3936684
1-[4-(4-fluoro-3-methylanilino)piperidin-1-yl]ethanone
CID 62810559
4-[(1-acetylpiperidin-4-yl)amino]-N-ethylbenzamide
CID 43787652
1-[4-[4-(difluoromethylsulfanyl)anilino]piperidin-1-yl]ethanone
CID 43779000
1-[4-[(6-fluoro-3-pyridinyl)amino]piperidin-1-yl]ethanone
CID 103825805
1-[4-(2-chloro-4-methylanilino)piperidin-1-yl]ethanone
CID 43772607
1-[4-(4-methylanilino)piperidin-1-yl]-2-phenoxyethanone
CID 3973578
1-[4-(3,5-difluoroanilino)piperidin-1-yl]ethanone
CID 43764958
ethane;N-(4-methylphenyl)-1-methylsulfonylpiperidin-4-amine
CID 144986439

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylanilino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-methylanilino)piperidin-1-yl]ethanone (CID 5307205) is 1-[4-(4-methylanilino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methylanilino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-methylanilino)piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2ccc(C)cc2)CC1.
What is the InChIKey of 1-[4-(4-methylanilino)piperidin-1-yl]ethanone?
The InChIKey is BYSSHJACTSXIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-3-5-13(6-4-11)15-14-7-9-16(10-8-14)12(2)17/h3-6,14-15H,7-10H2,1-2H3.
What are the key properties of 1-[4-(4-methylanilino)piperidin-1-yl]ethanone?
1-[4-(4-methylanilino)piperidin-1-yl]ethanone has a molecular weight of 232.33 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylanilino)piperidin-1-yl]ethanone is sourced from PubChem (CID 5307205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).