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

C14H18F2N2O — CID 115267174

IUPAC[2-(aminomethyl)-2-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
SMILESCC1(CN)CCCCN1C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2N2O/c1-14(9-17)6-2-3-7-18(14)13(19)10-4-5-11(15)12(16)8-10/h4-5,8H,2-3,6-7,9,17H2,1H3
InChIKeyLIMXUKQPPGHRJH-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.31
Rot. Bonds2

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

[2-(aminomethyl)-2-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone (PubChem CID 115267174) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is [2-(aminomethyl)-2-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-2-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
PubChem CID115267174
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name[2-(aminomethyl)-2-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
SMILESCC1(CN)CCCCN1C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2N2O/c1-14(9-17)6-2-3-7-18(14)13(19)10-4-5-11(15)12(16)8-10/h4-5,8H,2-3,6-7,9,17H2,1H3
InChIKeyLIMXUKQPPGHRJH-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone
CID 115266990
[1-(aminomethyl)cycloheptyl]-(3,4-difluorophenyl)methanone
CID 116602023
[2-(aminomethyl)-2-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 115270727
ethyl 1-(4-fluoro-3-methylbenzoyl)-2-methylpiperidine-2-carboxylate
CID 46942874
N-[1-(aminomethyl)cyclopentyl]-3,4-difluorobenzamide;hydrochloride
CID 119567629
4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362058
[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-bromothiophen-2-yl)methanone
CID 115270508
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide
CID 115365383
(3,4-difluorophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304505
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 115270582
[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 115270537
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanone;dihydrochloride
CID 120807046

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-2-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone?
The IUPAC name of [2-(aminomethyl)-2-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone (CID 115267174) is [2-(aminomethyl)-2-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-2-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-2-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone is CC1(CN)CCCCN1C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of [2-(aminomethyl)-2-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone?
The InChIKey is LIMXUKQPPGHRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-14(9-17)6-2-3-7-18(14)13(19)10-4-5-11(15)12(16)8-10/h4-5,8H,2-3,6-7,9,17H2,1H3.
What are the key properties of [2-(aminomethyl)-2-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone?
[2-(aminomethyl)-2-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone has a molecular weight of 268.31 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-2-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone is sourced from PubChem (CID 115267174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).