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

C16H20ClN3S — CID 43100105

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine
SMILESNCC(c1ccsc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H20ClN3S/c17-14-2-1-3-15(10-14)19-5-7-20(8-6-19)16(11-18)13-4-9-21-12-13/h1-4,9-10,12,16H,5-8,11,18H2
InChIKeyHGXPRDBDZVIPSZ-UHFFFAOYSA-N
MW321.88 g/mol
LogP3.22
Rot. Bonds4

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

2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine (PubChem CID 43100105) has the molecular formula C16H20ClN3S and a molecular weight of 321.88 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine
PubChem CID43100105
Molecular FormulaC16H20ClN3S
Molecular Weight321.88 g/mol
Exact Mass321.11
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine
SMILESNCC(c1ccsc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H20ClN3S/c17-14-2-1-3-15(10-14)19-5-7-20(8-6-19)16(11-18)13-4-9-21-12-13/h1-4,9-10,12,16H,5-8,11,18H2
InChIKeyHGXPRDBDZVIPSZ-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

(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylethanamine
CID 9161222
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanamine
CID 9161313
2-[4-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine
CID 43118100
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanamine
CID 9161262
(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanamine
CID 9161266
4-(2-amino-1-thiophen-3-ylethyl)-1-methylpiperazin-2-one
CID 64680050
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpropan-1-amine
CID 55069987
3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931447
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360
1-(3-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)methanesulfonamide
CID 16933203
2-(4-butan-2-ylpiperazin-1-yl)-2-(3-chlorophenyl)ethanamine
CID 62773618
(2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489474

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine (CID 43100105) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine is NCC(c1ccsc1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine?
The InChIKey is HGXPRDBDZVIPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3S/c17-14-2-1-3-15(10-14)19-5-7-20(8-6-19)16(11-18)13-4-9-21-12-13/h1-4,9-10,12,16H,5-8,11,18H2.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine?
2-[4-(3-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-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 43100105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).