[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone

C15H21FN2O — CID 114960337

IUPAC[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
SMILESCc1ccc(F)cc1C(=O)N1CCC(C)C(CN)C1
InChIInChI=1S/C15H21FN2O/c1-10-5-6-18(9-12(10)8-17)15(19)14-7-13(16)4-3-11(14)2/h3-4,7,10,12H,5-6,8-9,17H2,1-2H3
InChIKeyAHHMVJWIEMUSJB-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.19
Rot. Bonds2

About [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone

[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone (PubChem CID 114960337) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
PubChem CID114960337
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
SMILESCc1ccc(F)cc1C(=O)N1CCC(C)C(CN)C1
InChIInChI=1S/C15H21FN2O/c1-10-5-6-18(9-12(10)8-17)15(19)14-7-13(16)4-3-11(14)2/h3-4,7,10,12H,5-6,8-9,17H2,1-2H3
InChIKeyAHHMVJWIEMUSJB-UHFFFAOYSA-N
XLogP2.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 114960355
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 114960673
[3-(aminomethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone;hydrochloride
CID 119465078
(3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299398
[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 63765748
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 102978340
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dibromophenyl)methanone
CID 114960521
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2-tert-butylphenyl)methanone
CID 114960434
(5-fluoro-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579929
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 114960668
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705273
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 114960623

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone?
The IUPAC name of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone (CID 114960337) is [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone?
The canonical SMILES for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone is Cc1ccc(F)cc1C(=O)N1CCC(C)C(CN)C1.
What is the InChIKey of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone?
The InChIKey is AHHMVJWIEMUSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10-5-6-18(9-12(10)8-17)15(19)14-7-13(16)4-3-11(14)2/h3-4,7,10,12H,5-6,8-9,17H2,1-2H3.
What are the key properties of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone?
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone has a molecular weight of 264.34 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 114960337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).