N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylpiperazin-1-amine

C16H20FN3S — CID 83010258

IUPACN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylpiperazin-1-amine
SMILESCN1CCN(NCc2ccc(F)c(-c3cccs3)c2)CC1
InChIInChI=1S/C16H20FN3S/c1-19-6-8-20(9-7-19)18-12-13-4-5-15(17)14(11-13)16-3-2-10-21-16/h2-5,10-11,18H,6-9,12H2,1H3
InChIKeyGOUGNWITJARVHU-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.81
Rot. Bonds4

About N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylpiperazin-1-amine

N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylpiperazin-1-amine (PubChem CID 83010258) has the molecular formula C16H20FN3S and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylpiperazin-1-amine
PubChem CID83010258
Molecular FormulaC16H20FN3S
Molecular Weight305.42 g/mol
Exact Mass305.14
IUPAC NameN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylpiperazin-1-amine
SMILESCN1CCN(NCc2ccc(F)c(-c3cccs3)c2)CC1
InChIInChI=1S/C16H20FN3S/c1-19-6-8-20(9-7-19)18-12-13-4-5-15(17)14(11-13)16-3-2-10-21-16/h2-5,10-11,18H,6-9,12H2,1H3
InChIKeyGOUGNWITJARVHU-UHFFFAOYSA-N
XLogP2.81
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 61103811
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylaniline
CID 63420445
N-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
CID 82709130
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-methylpyrazol-3-amine
CID 61103625
4-chloro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline
CID 63422472
(1S)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81391284
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 61104385
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]cycloheptanamine
CID 63420419
4-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]phenol
CID 61103429
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
CID 71890514
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656201
3-fluoro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline
CID 63422959

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylpiperazin-1-amine?
The IUPAC name of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylpiperazin-1-amine (CID 83010258) is N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylpiperazin-1-amine.
What is the SMILES notation for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylpiperazin-1-amine?
The canonical SMILES for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylpiperazin-1-amine is CN1CCN(NCc2ccc(F)c(-c3cccs3)c2)CC1.
What is the InChIKey of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylpiperazin-1-amine?
The InChIKey is GOUGNWITJARVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3S/c1-19-6-8-20(9-7-19)18-12-13-4-5-15(17)14(11-13)16-3-2-10-21-16/h2-5,10-11,18H,6-9,12H2,1H3.
What are the key properties of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylpiperazin-1-amine?
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylpiperazin-1-amine has a molecular weight of 305.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylpiperazin-1-amine is sourced from PubChem (CID 83010258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).