[2-(aminomethyl)-4-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone

C14H18F2N2O — CID 103441207

IUPAC[2-(aminomethyl)-4-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
SMILESCC1CCN(C(=O)c2ccc(F)c(F)c2)C(CN)C1
InChIInChI=1S/C14H18F2N2O/c1-9-4-5-18(11(6-9)8-17)14(19)10-2-3-12(15)13(16)7-10/h2-3,7,9,11H,4-6,8,17H2,1H3
InChIKeyZGBHZBGSTBWPET-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.16
Rot. Bonds2

About [2-(aminomethyl)-4-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone

[2-(aminomethyl)-4-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone (PubChem CID 103441207) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
PubChem CID103441207
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name[2-(aminomethyl)-4-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
SMILESCC1CCN(C(=O)c2ccc(F)c(F)c2)C(CN)C1
InChIInChI=1S/C14H18F2N2O/c1-9-4-5-18(11(6-9)8-17)14(19)10-2-3-12(15)13(16)7-10/h2-3,7,9,11H,4-6,8,17H2,1H3
InChIKeyZGBHZBGSTBWPET-UHFFFAOYSA-N
XLogP2.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 103441080
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(4-bromo-3-methylphenyl)methanone
CID 103440915
[2-(aminomethyl)-4-methylpiperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 103440957
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 115963268
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 103441015
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 95357692
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 95357690
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2-bromo-4-fluorophenyl)methanone
CID 103441258
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 86777596
4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-fluorobenzamide
CID 103442379
4-[2-(aminomethyl)-4-methylpiperidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one
CID 103440801

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone (CID 103441207) is [2-(aminomethyl)-4-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone is CC1CCN(C(=O)c2ccc(F)c(F)c2)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone?
The InChIKey is ZGBHZBGSTBWPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-9-4-5-18(11(6-9)8-17)14(19)10-2-3-12(15)13(16)7-10/h2-3,7,9,11H,4-6,8,17H2,1H3.
What are the key properties of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone?
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone has a molecular weight of 268.31 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone is sourced from PubChem (CID 103441207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).