(3-amino-5-methylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone

C14H19FN2O — CID 79993239

IUPAC(3-amino-5-methylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CC(C)CC(N)C2)ccc1F
InChIInChI=1S/C14H19FN2O/c1-9-5-12(16)8-17(7-9)14(18)11-3-4-13(15)10(2)6-11/h3-4,6,9,12H,5,7-8,16H2,1-2H3
InChIKeyGEXDEEKXEGQBSO-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.94
Rot. Bonds1

About (3-amino-5-methylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone

(3-amino-5-methylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone (PubChem CID 79993239) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is (3-amino-5-methylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-5-methylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
PubChem CID79993239
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name(3-amino-5-methylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CC(C)CC(N)C2)ccc1F
InChIInChI=1S/C14H19FN2O/c1-9-5-12(16)8-17(7-9)14(18)11-3-4-13(15)10(2)6-11/h3-4,6,9,12H,5,7-8,16H2,1-2H3
InChIKeyGEXDEEKXEGQBSO-UHFFFAOYSA-N
XLogP1.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-amino-5-methylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 79994422
(3-amino-5-methylpiperidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82816396
(4-fluoro-3-methylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55163647
(4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 30076126
(3,4-dimethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 115872321
(3-amino-5-methylpiperidin-1-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 79993755
(3-amino-5-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone
CID 79994551
(4-fluoro-3-methylphenyl)-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 70713621
(4-fluoro-3-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 65417667
(3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103951623
[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 133116929
(3-bromopyrrolidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 80677888

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone?
The IUPAC name of (3-amino-5-methylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone (CID 79993239) is (3-amino-5-methylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for (3-amino-5-methylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone?
The canonical SMILES for (3-amino-5-methylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone is Cc1cc(C(=O)N2CC(C)CC(N)C2)ccc1F.
What is the InChIKey of (3-amino-5-methylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone?
The InChIKey is GEXDEEKXEGQBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9-5-12(16)8-17(7-9)14(18)11-3-4-13(15)10(2)6-11/h3-4,6,9,12H,5,7-8,16H2,1-2H3.
What are the key properties of (3-amino-5-methylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone?
(3-amino-5-methylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone has a molecular weight of 250.32 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 79993239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).