2-[4-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine

C16H20ClN3S — CID 43118100

IUPAC2-[4-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine
SMILESNCC(c1ccsc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C16H20ClN3S/c17-14-3-1-2-4-15(14)19-6-8-20(9-7-19)16(11-18)13-5-10-21-12-13/h1-5,10,12,16H,6-9,11,18H2
InChIKeyYQCFHIQDZLDPQT-UHFFFAOYSA-N
MW321.88 g/mol
LogP3.22
Rot. Bonds4

About 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine

2-[4-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine (PubChem CID 43118100) has the molecular formula C16H20ClN3S and a molecular weight of 321.88 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine
PubChem CID43118100
Molecular FormulaC16H20ClN3S
Molecular Weight321.88 g/mol
Exact Mass321.11
IUPAC Name2-[4-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine
SMILESNCC(c1ccsc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C16H20ClN3S/c17-14-3-1-2-4-15(14)19-6-8-20(9-7-19)16(11-18)13-5-10-21-12-13/h1-5,10,12,16H,6-9,11,18H2
InChIKeyYQCFHIQDZLDPQT-UHFFFAOYSA-N
XLogP3.22
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.88
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine
CID 43100105
2-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-amine
CID 43118109
2-(3,4-dihydro-2H-quinolin-1-yl)-2-thiophen-3-ylethanamine
CID 16792564
2-[4-(2-chlorophenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-amine
CID 43752689
4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one
CID 64680050
N-[(2-chlorophenyl)methyl]-N'-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide
CID 16932218
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-chlorophenyl)oxamide
CID 16932602
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-thiophen-3-ylethanamine
CID 63404092
N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chlorobenzenesulfonamide
CID 40863927
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chlorobenzenesulfonamide
CID 16933225
2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide
CID 17433888
N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chlorophenyl)acetamide
CID 124761077

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine?
The IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine (CID 43118100) is 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine?
The canonical SMILES for 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine is NCC(c1ccsc1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine?
The InChIKey is YQCFHIQDZLDPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3S/c17-14-3-1-2-4-15(14)19-6-8-20(9-7-19)16(11-18)13-5-10-21-12-13/h1-5,10,12,16H,6-9,11,18H2.
What are the key properties of 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine?
2-[4-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine has a molecular weight of 321.88 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 43118100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).