N,N-dimethyl-4-[piperazin-1-yl(thiophen-2-yl)methyl]aniline

C17H23N3S — CID 4988870

IUPACN,N-dimethyl-4-[piperazin-1-yl(thiophen-2-yl)methyl]aniline
SMILESCN(C)c1ccc(C(c2cccs2)N2CCNCC2)cc1
InChIInChI=1S/C17H23N3S/c1-19(2)15-7-5-14(6-8-15)17(16-4-3-13-21-16)20-11-9-18-10-12-20/h3-8,13,17-18H,9-12H2,1-2H3
InChIKeyFBPKBTOLWWIJQM-UHFFFAOYSA-N
MW301.46 g/mol
LogP2.81
Rot. Bonds4

About N,N-dimethyl-4-[piperazin-1-yl(thiophen-2-yl)methyl]aniline

N,N-dimethyl-4-[piperazin-1-yl(thiophen-2-yl)methyl]aniline (PubChem CID 4988870) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N,N-dimethyl-4-[piperazin-1-yl(thiophen-2-yl)methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[piperazin-1-yl(thiophen-2-yl)methyl]aniline
PubChem CID4988870
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN,N-dimethyl-4-[piperazin-1-yl(thiophen-2-yl)methyl]aniline
SMILESCN(C)c1ccc(C(c2cccs2)N2CCNCC2)cc1
InChIInChI=1S/C17H23N3S/c1-19(2)15-7-5-14(6-8-15)17(16-4-3-13-21-16)20-11-9-18-10-12-20/h3-8,13,17-18H,9-12H2,1-2H3
InChIKeyFBPKBTOLWWIJQM-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 ≤ 500301.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[(R)-(4-iodophenyl)-thiophen-2-ylmethyl]piperazine
CID 171276045
1-[(R)-(4-phenylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171279536
1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281575
1-[(R)-thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171273194
1-[(R)-(4-methylsulfonylphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171272709
1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 5096887
1-[(R)-(4-phenoxyphenyl)-thiophen-2-ylmethyl]piperazine
CID 171279713
1-[(S)-(4-ethoxyphenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171287098
4-[1,4-diazepan-1-yl-(3-methylthiophen-2-yl)methyl]-N,N-dimethylaniline
CID 3844654
4-[(4-ethylphenyl)-piperazin-1-ylmethyl]-N,N-dimethylaniline
CID 3902289
1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 92754603
1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride
CID 171280742

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[piperazin-1-yl(thiophen-2-yl)methyl]aniline?
The IUPAC name of N,N-dimethyl-4-[piperazin-1-yl(thiophen-2-yl)methyl]aniline (CID 4988870) is N,N-dimethyl-4-[piperazin-1-yl(thiophen-2-yl)methyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[piperazin-1-yl(thiophen-2-yl)methyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[piperazin-1-yl(thiophen-2-yl)methyl]aniline is CN(C)c1ccc(C(c2cccs2)N2CCNCC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[piperazin-1-yl(thiophen-2-yl)methyl]aniline?
The InChIKey is FBPKBTOLWWIJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-19(2)15-7-5-14(6-8-15)17(16-4-3-13-21-16)20-11-9-18-10-12-20/h3-8,13,17-18H,9-12H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[piperazin-1-yl(thiophen-2-yl)methyl]aniline?
N,N-dimethyl-4-[piperazin-1-yl(thiophen-2-yl)methyl]aniline has a molecular weight of 301.46 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,N-dimethyl-4-[piperazin-1-yl(thiophen-2-yl)methyl]aniline is sourced from PubChem (CID 4988870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).