[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-fluorophenyl]methanamine

C15H24FN3 — CID 63604704

IUPAC[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-fluorophenyl]methanamine
SMILESCCC1CN(Cc2ccc(CN)cc2F)CCN1C
InChIInChI=1S/C15H24FN3/c1-3-14-11-19(7-6-18(14)2)10-13-5-4-12(9-17)8-15(13)16/h4-5,8,14H,3,6-7,9-11,17H2,1-2H3
InChIKeyFSZMXLSFYSVCPP-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.81
Rot. Bonds4

About [4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-fluorophenyl]methanamine

[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-fluorophenyl]methanamine (PubChem CID 63604704) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is [4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-fluorophenyl]methanamine
PubChem CID63604704
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-fluorophenyl]methanamine
SMILESCCC1CN(Cc2ccc(CN)cc2F)CCN1C
InChIInChI=1S/C15H24FN3/c1-3-14-11-19(7-6-18(14)2)10-13-5-4-12(9-17)8-15(13)16/h4-5,8,14H,3,6-7,9-11,17H2,1-2H3
InChIKeyFSZMXLSFYSVCPP-UHFFFAOYSA-N
XLogP1.81
TPSA32.50 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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]methanamine
CID 79175481
[3-fluoro-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methanamine
CID 114537265
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166063
[3-fluoro-4-[(3-propylazetidin-1-yl)methyl]phenyl]methanamine
CID 79687646
1-[3-bromo-4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 102771048
methyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate
CID 63383148
[3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorophenyl]methanamine
CID 43562377
3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-fluorobenzonitrile
CID 107114952
4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-methylbenzoic acid
CID 114485539
ethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate
CID 63383296
methyl 2-[4-[[4-(aminomethyl)-2-fluorophenyl]methyl]morpholin-2-yl]acetate
CID 115533910
4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483551

Frequently Asked Questions

What is the IUPAC name of [4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-fluorophenyl]methanamine?
The IUPAC name of [4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-fluorophenyl]methanamine (CID 63604704) is [4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-fluorophenyl]methanamine?
The canonical SMILES for [4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-fluorophenyl]methanamine is CCC1CN(Cc2ccc(CN)cc2F)CCN1C.
What is the InChIKey of [4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-fluorophenyl]methanamine?
The InChIKey is FSZMXLSFYSVCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-3-14-11-19(7-6-18(14)2)10-13-5-4-12(9-17)8-15(13)16/h4-5,8,14H,3,6-7,9-11,17H2,1-2H3.
What are the key properties of [4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-fluorophenyl]methanamine?
[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-fluorophenyl]methanamine has a molecular weight of 265.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-fluorophenyl]methanamine is sourced from PubChem (CID 63604704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).