N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine

C12H21N3S — CID 60850565

IUPACN-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
SMILESCN(CCN1CCNCC1)Cc1ccsc1
InChIInChI=1S/C12H21N3S/c1-14(10-12-2-9-16-11-12)7-8-15-5-3-13-4-6-15/h2,9,11,13H,3-8,10H2,1H3
InChIKeyVEDRADRRMPIGRS-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.09
Rot. Bonds5

About N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine

N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 60850565) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID60850565
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
SMILESCN(CCN1CCNCC1)Cc1ccsc1
InChIInChI=1S/C12H21N3S/c1-14(10-12-2-9-16-11-12)7-8-15-5-3-13-4-6-15/h2,9,11,13H,3-8,10H2,1H3
InChIKeyVEDRADRRMPIGRS-UHFFFAOYSA-N
XLogP1.09
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine
CID 55137660
2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 55025197
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide
CID 43162389
N-methyl-2-piperidin-4-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 61029974
N-methyl-2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 63267585
N-[(3-bromo-4-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 83230304
N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63267446
N,2-dimethyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide
CID 80548409
2-(1,4-diazepan-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)ethanamine
CID 62833124
2-methoxy-4-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzonitrile
CID 106792764
N-[(4-bromophenyl)methyl]-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 115230571
1-piperazin-1-yl-3-thiophen-3-ylpropan-2-one
CID 116559574

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine (CID 60850565) is N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine is CN(CCN1CCNCC1)Cc1ccsc1.
What is the InChIKey of N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is VEDRADRRMPIGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-14(10-12-2-9-16-11-12)7-8-15-5-3-13-4-6-15/h2,9,11,13H,3-8,10H2,1H3.
What are the key properties of N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine?
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 239.39 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 60850565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).