1-[3-(5-amino-6-methylpiperidin-2-yl)phenyl]ethanone

C14H20N2O — CID 165483274

IUPAC1-[3-(5-amino-6-methylpiperidin-2-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(C2CCC(N)C(C)N2)c1
InChIInChI=1S/C14H20N2O/c1-9-13(15)6-7-14(16-9)12-5-3-4-11(8-12)10(2)17/h3-5,8-9,13-14,16H,6-7,15H2,1-2H3
InChIKeyWFASCCHLKQNSFA-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.03
Rot. Bonds2

About 1-[3-(5-amino-6-methylpiperidin-2-yl)phenyl]ethanone

1-[3-(5-amino-6-methylpiperidin-2-yl)phenyl]ethanone (PubChem CID 165483274) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[3-(5-amino-6-methylpiperidin-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(5-amino-6-methylpiperidin-2-yl)phenyl]ethanone
PubChem CID165483274
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[3-(5-amino-6-methylpiperidin-2-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(C2CCC(N)C(C)N2)c1
InChIInChI=1S/C14H20N2O/c1-9-13(15)6-7-14(16-9)12-5-3-4-11(8-12)10(2)17/h3-5,8-9,13-14,16H,6-7,15H2,1-2H3
InChIKeyWFASCCHLKQNSFA-UHFFFAOYSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 158509553
3-[(2S)-piperidin-2-yl]benzamide;hydrochloride
CID 154574752
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ethyl (2R,5S)-5-(3-fluorophenyl)pyrrolidine-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-amino-6-methylpiperidin-2-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(5-amino-6-methylpiperidin-2-yl)phenyl]ethanone (CID 165483274) is 1-[3-(5-amino-6-methylpiperidin-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(5-amino-6-methylpiperidin-2-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(5-amino-6-methylpiperidin-2-yl)phenyl]ethanone is CC(=O)c1cccc(C2CCC(N)C(C)N2)c1.
What is the InChIKey of 1-[3-(5-amino-6-methylpiperidin-2-yl)phenyl]ethanone?
The InChIKey is WFASCCHLKQNSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9-13(15)6-7-14(16-9)12-5-3-4-11(8-12)10(2)17/h3-5,8-9,13-14,16H,6-7,15H2,1-2H3.
What are the key properties of 1-[3-(5-amino-6-methylpiperidin-2-yl)phenyl]ethanone?
1-[3-(5-amino-6-methylpiperidin-2-yl)phenyl]ethanone has a molecular weight of 232.33 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-amino-6-methylpiperidin-2-yl)phenyl]ethanone is sourced from PubChem (CID 165483274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).