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

C13H18F2N2 — CID 63667562

IUPACN-[(2,3-difluorophenyl)methyl]-1-methylpiperidin-3-amine
SMILESCN1CCCC(NCc2cccc(F)c2F)C1
InChIInChI=1S/C13H18F2N2/c1-17-7-3-5-11(9-17)16-8-10-4-2-6-12(14)13(10)15/h2,4,6,11,16H,3,5,7-9H2,1H3
InChIKeyZQVQQNSWNSNNIN-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.15
Rot. Bonds3

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

N-[(2,3-difluorophenyl)methyl]-1-methylpiperidin-3-amine (PubChem CID 63667562) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-1-methylpiperidin-3-amine
PubChem CID63667562
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC NameN-[(2,3-difluorophenyl)methyl]-1-methylpiperidin-3-amine
SMILESCN1CCCC(NCc2cccc(F)c2F)C1
InChIInChI=1S/C13H18F2N2/c1-17-7-3-5-11(9-17)16-8-10-4-2-6-12(14)13(10)15/h2,4,6,11,16H,3,5,7-9H2,1H3
InChIKeyZQVQQNSWNSNNIN-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

N-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 115695883
N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine
CID 63667561
N-[(2-chloro-3-fluorophenyl)methyl]-1-methylpyrrolidin-3-amine
CID 112651913
2-(2-fluorophenyl)-N-(1-methylpiperidin-3-yl)acetamide
CID 47344420
N-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 63669754
N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 43425026
N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine
CID 61210462
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol
CID 112606644
N-[(2,5-dimethylphenyl)methyl]-1-methylpiperidin-3-amine
CID 54971762
N-[(2,4-difluoro-5-nitrophenyl)methyl]-1-methylpiperidin-3-amine
CID 61211793
N-[(2,3-difluorophenyl)methyl]-1,1-dioxothietan-3-amine
CID 165451308
N-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine
CID 61462296

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-1-methylpiperidin-3-amine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-1-methylpiperidin-3-amine (CID 63667562) is N-[(2,3-difluorophenyl)methyl]-1-methylpiperidin-3-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-1-methylpiperidin-3-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-1-methylpiperidin-3-amine is CN1CCCC(NCc2cccc(F)c2F)C1.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-1-methylpiperidin-3-amine?
The InChIKey is ZQVQQNSWNSNNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-17-7-3-5-11(9-17)16-8-10-4-2-6-12(14)13(10)15/h2,4,6,11,16H,3,5,7-9H2,1H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-1-methylpiperidin-3-amine?
N-[(2,3-difluorophenyl)methyl]-1-methylpiperidin-3-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 N-[(2,3-difluorophenyl)methyl]-1-methylpiperidin-3-amine is sourced from PubChem (CID 63667562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).