N,2-dimethyl-1-(3-methylthiophen-2-yl)-3-piperazin-1-ylpropan-1-amine

C14H25N3S — CID 116960907

IUPACN,2-dimethyl-1-(3-methylthiophen-2-yl)-3-piperazin-1-ylpropan-1-amine
SMILESCNC(c1sccc1C)C(C)CN1CCNCC1
InChIInChI=1S/C14H25N3S/c1-11-4-9-18-14(11)13(15-3)12(2)10-17-7-5-16-6-8-17/h4,9,12-13,15-16H,5-8,10H2,1-3H3
InChIKeyXFEDMLYBRJLBOY-UHFFFAOYSA-N
MW267.44 g/mol
LogP1.86
Rot. Bonds5

About N,2-dimethyl-1-(3-methylthiophen-2-yl)-3-piperazin-1-ylpropan-1-amine

N,2-dimethyl-1-(3-methylthiophen-2-yl)-3-piperazin-1-ylpropan-1-amine (PubChem CID 116960907) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N,2-dimethyl-1-(3-methylthiophen-2-yl)-3-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(3-methylthiophen-2-yl)-3-piperazin-1-ylpropan-1-amine
PubChem CID116960907
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN,2-dimethyl-1-(3-methylthiophen-2-yl)-3-piperazin-1-ylpropan-1-amine
SMILESCNC(c1sccc1C)C(C)CN1CCNCC1
InChIInChI=1S/C14H25N3S/c1-11-4-9-18-14(11)13(15-3)12(2)10-17-7-5-16-6-8-17/h4,9,12-13,15-16H,5-8,10H2,1-3H3
InChIKeyXFEDMLYBRJLBOY-UHFFFAOYSA-N
XLogP1.86
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N,2-dimethyl-3-piperazin-1-ylpropan-1-amine
CID 116960892
N,2-dimethyl-1-(3-methylthiophen-2-yl)butane-1,4-diamine
CID 116949667
1-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutan-1-amine
CID 116942064
2-cyclopropyl-N-methyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 83153908
1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride
CID 171276189
1-[(1S)-1-(3-methylthiophen-2-yl)hexyl]piperazine
CID 171308967
N-methyl-1-(3-methylthiophen-2-yl)-2-propylpentan-1-amine
CID 82984360
N,N'-dimethyl-1-(3-methylthiophen-2-yl)-2-phenylethane-1,2-diamine
CID 70397425
N-methyl-1-(4-methylphenyl)-2-piperazin-1-ylethanamine
CID 116954879
1-[(S)-cyclopropyl-(3-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171276198
1-[(1S)-2,2,2-trifluoro-1-(3-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171276192
1-(2-thiophen-2-ylsulfanylpropyl)piperazine
CID 117035710

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(3-methylthiophen-2-yl)-3-piperazin-1-ylpropan-1-amine?
The IUPAC name of N,2-dimethyl-1-(3-methylthiophen-2-yl)-3-piperazin-1-ylpropan-1-amine (CID 116960907) is N,2-dimethyl-1-(3-methylthiophen-2-yl)-3-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(3-methylthiophen-2-yl)-3-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N,2-dimethyl-1-(3-methylthiophen-2-yl)-3-piperazin-1-ylpropan-1-amine is CNC(c1sccc1C)C(C)CN1CCNCC1.
What is the InChIKey of N,2-dimethyl-1-(3-methylthiophen-2-yl)-3-piperazin-1-ylpropan-1-amine?
The InChIKey is XFEDMLYBRJLBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-11-4-9-18-14(11)13(15-3)12(2)10-17-7-5-16-6-8-17/h4,9,12-13,15-16H,5-8,10H2,1-3H3.
What are the key properties of N,2-dimethyl-1-(3-methylthiophen-2-yl)-3-piperazin-1-ylpropan-1-amine?
N,2-dimethyl-1-(3-methylthiophen-2-yl)-3-piperazin-1-ylpropan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(3-methylthiophen-2-yl)-3-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 116960907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).