1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine

C13H18F2N2 — CID 54923675

IUPAC1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C13H18F2N2/c1-16-11-5-7-17(8-6-11)9-10-3-2-4-12(14)13(10)15/h2-4,11,16H,5-9H2,1H3
InChIKeyIGXXSCRNLUAJGO-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.15
Rot. Bonds3

About 1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine

1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine (PubChem CID 54923675) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine
PubChem CID54923675
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C13H18F2N2/c1-16-11-5-7-17(8-6-11)9-10-3-2-4-12(14)13(10)15/h2-4,11,16H,5-9H2,1H3
InChIKeyIGXXSCRNLUAJGO-UHFFFAOYSA-N
XLogP2.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,3-difluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 54923818
1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922702
1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798
N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928256
1-[(2-chloro-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 112652863
N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62592212
1-[(2-ethylphenyl)methyl]-N-methylpiperidin-4-amine
CID 64694673
1-[(2,3-difluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 114502450
2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]acetic acid
CID 79606347
3-(2,3-difluorophenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119560045
1-[(2,3-difluorophenyl)methyl]-4-propan-2-ylpiperazine
CID 170657560
1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115300011

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine (CID 54923675) is 1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine is CNC1CCN(Cc2cccc(F)c2F)CC1.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine?
The InChIKey is IGXXSCRNLUAJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-16-11-5-7-17(8-6-11)9-10-3-2-4-12(14)13(10)15/h2-4,11,16H,5-9H2,1H3.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine?
1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine has a molecular weight of 240.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 54923675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).