1-[(2,4-difluorophenyl)methyl]-N,2-dimethylpiperidin-4-amine

C14H20F2N2 — CID 62228318

IUPAC1-[(2,4-difluorophenyl)methyl]-N,2-dimethylpiperidin-4-amine
SMILESCNC1CCN(Cc2ccc(F)cc2F)C(C)C1
InChIInChI=1S/C14H20F2N2/c1-10-7-13(17-2)5-6-18(10)9-11-3-4-12(15)8-14(11)16/h3-4,8,10,13,17H,5-7,9H2,1-2H3
InChIKeyRYOYTPJXIFFGBY-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.54
Rot. Bonds3

About 1-[(2,4-difluorophenyl)methyl]-N,2-dimethylpiperidin-4-amine

1-[(2,4-difluorophenyl)methyl]-N,2-dimethylpiperidin-4-amine (PubChem CID 62228318) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-N,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-N,2-dimethylpiperidin-4-amine
PubChem CID62228318
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-[(2,4-difluorophenyl)methyl]-N,2-dimethylpiperidin-4-amine
SMILESCNC1CCN(Cc2ccc(F)cc2F)C(C)C1
InChIInChI=1S/C14H20F2N2/c1-10-7-13(17-2)5-6-18(10)9-11-3-4-12(15)8-14(11)16/h3-4,8,10,13,17H,5-7,9H2,1-2H3
InChIKeyRYOYTPJXIFFGBY-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 82713388
9-[(2,4-difluorophenyl)methyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712049
3-[(2,4-difluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 64505887
methyl 1-[(2,4-difluorophenyl)methyl]azetidine-2-carboxylate
CID 112581393
1-[(2,4-difluorophenyl)methyl]-3-(methylamino)pyrrolidin-2-one
CID 62228510
1-[(3-bromophenyl)methyl]-N,2-dimethylpiperidin-4-amine
CID 54976240
1-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62512142
3-fluoro-4-[(2-methylazetidin-1-yl)methyl]benzonitrile
CID 79687406
5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 64859705
N-[(2,4-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 28716417
1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine
CID 109458556
4-fluoro-2-[(4-methoxy-2-methylpiperidin-1-yl)methyl]phenol
CID 114221675

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N,2-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N,2-dimethylpiperidin-4-amine (CID 62228318) is 1-[(2,4-difluorophenyl)methyl]-N,2-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-N,2-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-N,2-dimethylpiperidin-4-amine is CNC1CCN(Cc2ccc(F)cc2F)C(C)C1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-N,2-dimethylpiperidin-4-amine?
The InChIKey is RYOYTPJXIFFGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-10-7-13(17-2)5-6-18(10)9-11-3-4-12(15)8-14(11)16/h3-4,8,10,13,17H,5-7,9H2,1-2H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-N,2-dimethylpiperidin-4-amine?
1-[(2,4-difluorophenyl)methyl]-N,2-dimethylpiperidin-4-amine has a molecular weight of 254.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-N,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 62228318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).