(4-amino-2-methylpiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone

C14H19FN2O2 — CID 115312129

IUPAC(4-amino-2-methylpiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCC(N)CC2C)ccc1F
InChIInChI=1S/C14H19FN2O2/c1-9-7-11(16)5-6-17(9)14(18)10-3-4-12(15)13(8-10)19-2/h3-4,8-9,11H,5-7,16H2,1-2H3
InChIKeyIYRAQOIBBSUPJT-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.79
Rot. Bonds2

About (4-amino-2-methylpiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone

(4-amino-2-methylpiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone (PubChem CID 115312129) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is (4-amino-2-methylpiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-amino-2-methylpiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone
PubChem CID115312129
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name(4-amino-2-methylpiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCC(N)CC2C)ccc1F
InChIInChI=1S/C14H19FN2O2/c1-9-7-11(16)5-6-17(9)14(18)10-3-4-12(15)13(8-10)19-2/h3-4,8-9,11H,5-7,16H2,1-2H3
InChIKeyIYRAQOIBBSUPJT-UHFFFAOYSA-N
XLogP1.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone
CID 124686970
[(3R)-3-aminopyrrolidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 113282283
5-[(2R,4R)-4-amino-2-methylpiperidine-1-carbonyl]-2-fluoro-N-methylbenzenesulfonamide
CID 124688578
5-(4-amino-2-methylpiperidine-1-carbonyl)-2-fluoro-N-methylbenzenesulfonamide
CID 126779851
(4-fluoro-3-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82756256
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methanone
CID 124692445
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(3,4,5-trifluorophenyl)phenyl]methanone
CID 124690117
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 102788437
(4-amino-2-methylpiperidin-1-yl)-(4-bromo-2-methoxyphenyl)methanone
CID 115369691
(2R)-1-(4-fluoro-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 81283582
[3-(aminomethyl)pyrrolidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 81284200
4-[(2R,4S)-4-amino-2-methylpiperidine-1-carbonyl]benzonitrile
CID 124573728

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylpiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone?
The IUPAC name of (4-amino-2-methylpiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone (CID 115312129) is (4-amino-2-methylpiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for (4-amino-2-methylpiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone?
The canonical SMILES for (4-amino-2-methylpiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone is COc1cc(C(=O)N2CCC(N)CC2C)ccc1F.
What is the InChIKey of (4-amino-2-methylpiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone?
The InChIKey is IYRAQOIBBSUPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9-7-11(16)5-6-17(9)14(18)10-3-4-12(15)13(8-10)19-2/h3-4,8-9,11H,5-7,16H2,1-2H3.
What are the key properties of (4-amino-2-methylpiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone?
(4-amino-2-methylpiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone has a molecular weight of 266.32 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylpiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 115312129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).