1-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine

C15H24FN3 — CID 106530804

IUPAC1-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(N2CCN(C(C)C)CC2)c1
InChIInChI=1S/C15H24FN3/c1-12(2)18-4-6-19(7-5-18)15-9-13(11-17-3)8-14(16)10-15/h8-10,12,17H,4-7,11H2,1-3H3
InChIKeySIEOPBDZGXLSIE-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.08
Rot. Bonds4

About 1-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine

1-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine (PubChem CID 106530804) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine
PubChem CID106530804
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name1-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(N2CCN(C(C)C)CC2)c1
InChIInChI=1S/C15H24FN3/c1-12(2)18-4-6-19(7-5-18)15-9-13(11-17-3)8-14(16)10-15/h8-10,12,17H,4-7,11H2,1-3H3
InChIKeySIEOPBDZGXLSIE-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-[4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone
CID 106530754
1-[3-fluoro-5-(methylaminomethyl)phenyl]-N,N-dimethylpiperidin-4-amine
CID 106530805
1-[3-fluoro-5-(methylaminomethyl)phenyl]piperidine-4-carboxamide
CID 106530749
1-[3-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine
CID 106530994
1-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluorophenyl]-N-methylmethanamine
CID 106530973
4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-2-one
CID 106530760
1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperazine
CID 59242663
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
1-[3-(2,4-dimethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine
CID 106531107
1-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-N-methylmethanamine
CID 106531142
1-[1-[3-fluoro-5-(hydroxymethyl)phenyl]piperidin-4-yl]ethanol
CID 106836470
N-methyl-1-[4-[2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]phenyl]methanamine
CID 67996999

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine (CID 106530804) is 1-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine is CNCc1cc(F)cc(N2CCN(C(C)C)CC2)c1.
What is the InChIKey of 1-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine?
The InChIKey is SIEOPBDZGXLSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-12(2)18-4-6-19(7-5-18)15-9-13(11-17-3)8-14(16)10-15/h8-10,12,17H,4-7,11H2,1-3H3.
What are the key properties of 1-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine?
1-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine 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-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 106530804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).