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

C15H24FN3 — CID 106530805

IUPAC1-[3-fluoro-5-(methylaminomethyl)phenyl]-N,N-dimethylpiperidin-4-amine
SMILESCNCc1cc(F)cc(N2CCC(N(C)C)CC2)c1
InChIInChI=1S/C15H24FN3/c1-17-11-12-8-13(16)10-15(9-12)19-6-4-14(5-7-19)18(2)3/h8-10,14,17H,4-7,11H2,1-3H3
InChIKeyAXJVZHIBFGTFAW-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.08
Rot. Bonds4

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

1-[3-fluoro-5-(methylaminomethyl)phenyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 106530805) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-[3-fluoro-5-(methylaminomethyl)phenyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[3-fluoro-5-(methylaminomethyl)phenyl]-N,N-dimethylpiperidin-4-amine
PubChem CID106530805
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name1-[3-fluoro-5-(methylaminomethyl)phenyl]-N,N-dimethylpiperidin-4-amine
SMILESCNCc1cc(F)cc(N2CCC(N(C)C)CC2)c1
InChIInChI=1S/C15H24FN3/c1-17-11-12-8-13(16)10-15(9-12)19-6-4-14(5-7-19)18(2)3/h8-10,14,17H,4-7,11H2,1-3H3
InChIKeyAXJVZHIBFGTFAW-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

1-[3-fluoro-5-(methylaminomethyl)phenyl]piperidine-4-carboxamide
CID 106530749
1-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 106530804
1-[4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone
CID 106530754
N-[3-fluoro-5-(methylaminomethyl)phenyl]-N,1-dimethylpiperidin-4-amine
CID 106530752
1-[3-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine
CID 106530994
4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-2-one
CID 106530760
1-[1-[(3,5-difluorophenyl)methylamino]-2-methylpropan-2-yl]-N,N-dimethylpiperidin-4-amine
CID 75514114
1-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluorophenyl]-N-methylmethanamine
CID 106530973
1-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine
CID 62281867
1-[3-(2,4-dimethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine
CID 106531107
1-(3-chloro-5-fluorophenyl)-N-methylpiperidin-4-amine
CID 107366614
1-[1-[3-fluoro-5-(hydroxymethyl)phenyl]piperidin-4-yl]ethanol
CID 106836470

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(methylaminomethyl)phenyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[3-fluoro-5-(methylaminomethyl)phenyl]-N,N-dimethylpiperidin-4-amine (CID 106530805) is 1-[3-fluoro-5-(methylaminomethyl)phenyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[3-fluoro-5-(methylaminomethyl)phenyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[3-fluoro-5-(methylaminomethyl)phenyl]-N,N-dimethylpiperidin-4-amine is CNCc1cc(F)cc(N2CCC(N(C)C)CC2)c1.
What is the InChIKey of 1-[3-fluoro-5-(methylaminomethyl)phenyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is AXJVZHIBFGTFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-17-11-12-8-13(16)10-15(9-12)19-6-4-14(5-7-19)18(2)3/h8-10,14,17H,4-7,11H2,1-3H3.
What are the key properties of 1-[3-fluoro-5-(methylaminomethyl)phenyl]-N,N-dimethylpiperidin-4-amine?
1-[3-fluoro-5-(methylaminomethyl)phenyl]-N,N-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 1-[3-fluoro-5-(methylaminomethyl)phenyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 106530805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).