N-methyl-N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine

C14H25N3S — CID 63265653

IUPACN-methyl-N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine
SMILESCCC(c1cccs1)N(C)CCN1CCNCC1
InChIInChI=1S/C14H25N3S/c1-3-13(14-5-4-12-18-14)16(2)10-11-17-8-6-15-7-9-17/h4-5,12-13,15H,3,6-11H2,1-2H3
InChIKeyHJZVCRYNMYEZLK-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.04
Rot. Bonds6

About N-methyl-N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine

N-methyl-N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine (PubChem CID 63265653) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-methyl-N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine
PubChem CID63265653
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-methyl-N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine
SMILESCCC(c1cccs1)N(C)CCN1CCNCC1
InChIInChI=1S/C14H25N3S/c1-3-13(14-5-4-12-18-14)16(2)10-11-17-8-6-15-7-9-17/h4-5,12-13,15H,3,6-11H2,1-2H3
InChIKeyHJZVCRYNMYEZLK-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 63267366
2-[methyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]acetic acid
CID 82201749
2-[ethyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]ethanol
CID 82201748
N-methyl-3-piperazin-1-yl-1-thiophen-2-ylpropan-1-amine
CID 116954947
2-(1,4-diazepan-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)ethanamine
CID 62833124
N-methyl-4-phenyl-N-(2-piperazin-1-ylethyl)butan-2-amine
CID 63267619
1-(2,6-difluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine
CID 63267675
N,N-diethyl-2-piperazin-1-yl-2-thiophen-2-ylethanamine
CID 83979379
2-(1,4-diazepan-1-yl)-N-(1-thiophen-2-ylpropyl)acetamide
CID 62832743
2-[methyl(2-piperazin-1-ylethyl)amino]butanoic acid
CID 64661581
1-(3-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine
CID 55168867
N-methyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide
CID 115171742

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine (CID 63265653) is N-methyl-N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-methyl-N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-methyl-N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine is CCC(c1cccs1)N(C)CCN1CCNCC1.
What is the InChIKey of N-methyl-N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine?
The InChIKey is HJZVCRYNMYEZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-3-13(14-5-4-12-18-14)16(2)10-11-17-8-6-15-7-9-17/h4-5,12-13,15H,3,6-11H2,1-2H3.
What are the key properties of N-methyl-N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine?
N-methyl-N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 63265653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).