[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-difluorophenyl)methanone

C14H18F2N2O — CID 114960673

IUPAC[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-difluorophenyl)methanone
SMILESCC1CCN(C(=O)c2cc(F)cc(F)c2)CC1CN
InChIInChI=1S/C14H18F2N2O/c1-9-2-3-18(8-11(9)7-17)14(19)10-4-12(15)6-13(16)5-10/h4-6,9,11H,2-3,7-8,17H2,1H3
InChIKeyZYLCNBKOYZLGAQ-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.02
Rot. Bonds2

About [3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-difluorophenyl)methanone

[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-difluorophenyl)methanone (PubChem CID 114960673) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is [3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-difluorophenyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-difluorophenyl)methanone
PubChem CID114960673
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-difluorophenyl)methanone
SMILESCC1CCN(C(=O)c2cc(F)cc(F)c2)CC1CN
InChIInChI=1S/C14H18F2N2O/c1-9-2-3-18(8-11(9)7-17)14(19)10-4-12(15)6-13(16)5-10/h4-6,9,11H,2-3,7-8,17H2,1H3
InChIKeyZYLCNBKOYZLGAQ-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705273
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 114960337
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone
CID 114960375
(3-fluoro-5-methylphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103901004
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-ethoxyphenyl)methanone
CID 114960591
(3-chloro-4-methylpiperidin-1-yl)-(3-fluoro-5-methylphenyl)methanone
CID 102961602
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 114960355
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dibromophenyl)methanone
CID 114960521
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 114960623
(4-bromo-3-methylpiperidin-1-yl)-(3-fluoro-5-methylphenyl)methanone
CID 114683510
[3-(2-aminoethyl)piperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 63765932
5-[3-(aminomethyl)-4-methylpiperidine-1-carbonyl]-1H-pyrazin-2-one
CID 114960606

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-difluorophenyl)methanone?
The IUPAC name of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-difluorophenyl)methanone (CID 114960673) is [3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-difluorophenyl)methanone.
What is the SMILES notation for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-difluorophenyl)methanone?
The canonical SMILES for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-difluorophenyl)methanone is CC1CCN(C(=O)c2cc(F)cc(F)c2)CC1CN.
What is the InChIKey of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-difluorophenyl)methanone?
The InChIKey is ZYLCNBKOYZLGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-9-2-3-18(8-11(9)7-17)14(19)10-4-12(15)6-13(16)5-10/h4-6,9,11H,2-3,7-8,17H2,1H3.
What are the key properties of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-difluorophenyl)methanone?
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-difluorophenyl)methanone has a molecular weight of 268.31 g/mol, XLogP of 2.02, 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]-(3,5-difluorophenyl)methanone is sourced from PubChem (CID 114960673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).