N-[3-fluoro-5-(methylaminomethyl)phenyl]-N,1-dimethylpiperidin-4-amine

C15H24FN3 — CID 106530752

IUPACN-[3-fluoro-5-(methylaminomethyl)phenyl]-N,1-dimethylpiperidin-4-amine
SMILESCNCc1cc(F)cc(N(C)C2CCN(C)CC2)c1
InChIInChI=1S/C15H24FN3/c1-17-11-12-8-13(16)10-15(9-12)19(3)14-4-6-18(2)7-5-14/h8-10,14,17H,4-7,11H2,1-3H3
InChIKeyCWGFXEVHXCUYDH-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.08
Rot. Bonds4

About N-[3-fluoro-5-(methylaminomethyl)phenyl]-N,1-dimethylpiperidin-4-amine

N-[3-fluoro-5-(methylaminomethyl)phenyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 106530752) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[3-fluoro-5-(methylaminomethyl)phenyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[3-fluoro-5-(methylaminomethyl)phenyl]-N,1-dimethylpiperidin-4-amine
PubChem CID106530752
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC NameN-[3-fluoro-5-(methylaminomethyl)phenyl]-N,1-dimethylpiperidin-4-amine
SMILESCNCc1cc(F)cc(N(C)C2CCN(C)CC2)c1
InChIInChI=1S/C15H24FN3/c1-17-11-12-8-13(16)10-15(9-12)19(3)14-4-6-18(2)7-5-14/h8-10,14,17H,4-7,11H2,1-3H3
InChIKeyCWGFXEVHXCUYDH-UHFFFAOYSA-N
XLogP2.08
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-3-N-methyl-3-N-(1-methylpiperidin-4-yl)benzene-1,3-diamine
CID 58997309
3-fluoro-N-methyl-5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 106531044
1-[3-fluoro-5-(methylaminomethyl)phenyl]-N,N-dimethylpiperidin-4-amine
CID 106530805
3-fluoro-5-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid
CID 82537873
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methyl-5-(methylaminomethyl)aniline
CID 106531045
N,3-dimethyl-5-(methylaminomethyl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 80628377
N,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline
CID 106530735
3-fluoro-N-methyl-5-(methylaminomethyl)-N-propylaniline
CID 106530783
N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 62281181
3-(2-aminoethyl)-5-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 106532442
1-N,4-N-dimethyl-4-N-(1-methylpiperidin-4-yl)benzene-1,4-diamine
CID 117041410
4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine
CID 155020969

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-5-(methylaminomethyl)phenyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[3-fluoro-5-(methylaminomethyl)phenyl]-N,1-dimethylpiperidin-4-amine (CID 106530752) is N-[3-fluoro-5-(methylaminomethyl)phenyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[3-fluoro-5-(methylaminomethyl)phenyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[3-fluoro-5-(methylaminomethyl)phenyl]-N,1-dimethylpiperidin-4-amine is CNCc1cc(F)cc(N(C)C2CCN(C)CC2)c1.
What is the InChIKey of N-[3-fluoro-5-(methylaminomethyl)phenyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is CWGFXEVHXCUYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-17-11-12-8-13(16)10-15(9-12)19(3)14-4-6-18(2)7-5-14/h8-10,14,17H,4-7,11H2,1-3H3.
What are the key properties of N-[3-fluoro-5-(methylaminomethyl)phenyl]-N,1-dimethylpiperidin-4-amine?
N-[3-fluoro-5-(methylaminomethyl)phenyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 265.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-5-(methylaminomethyl)phenyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 106530752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).