1-[1-(5-ethylthiophen-2-yl)-2-pyridin-2-ylethyl]piperazine

C17H23N3S — CID 4642854

IUPAC1-[1-(5-ethylthiophen-2-yl)-2-pyridin-2-ylethyl]piperazine
SMILESCCc1ccc(C(Cc2ccccn2)N2CCNCC2)s1
InChIInChI=1S/C17H23N3S/c1-2-15-6-7-17(21-15)16(20-11-9-18-10-12-20)13-14-5-3-4-8-19-14/h3-8,16,18H,2,9-13H2,1H3
InChIKeyVBGVXVDXCLSJQD-UHFFFAOYSA-N
MW301.46 g/mol
LogP2.89
Rot. Bonds5

About 1-[1-(5-ethylthiophen-2-yl)-2-pyridin-2-ylethyl]piperazine

1-[1-(5-ethylthiophen-2-yl)-2-pyridin-2-ylethyl]piperazine (PubChem CID 4642854) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 1-[1-(5-ethylthiophen-2-yl)-2-pyridin-2-ylethyl]piperazine.

Molecular Properties

Compound Name1-[1-(5-ethylthiophen-2-yl)-2-pyridin-2-ylethyl]piperazine
PubChem CID4642854
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name1-[1-(5-ethylthiophen-2-yl)-2-pyridin-2-ylethyl]piperazine
SMILESCCc1ccc(C(Cc2ccccn2)N2CCNCC2)s1
InChIInChI=1S/C17H23N3S/c1-2-15-6-7-17(21-15)16(20-11-9-18-10-12-20)13-14-5-3-4-8-19-14/h3-8,16,18H,2,9-13H2,1H3
InChIKeyVBGVXVDXCLSJQD-UHFFFAOYSA-N
XLogP2.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(5-ethylthiophen-2-yl)-3-methylbutyl]piperazine;dihydrochloride
CID 171281368
1-[1-(3-methyl-4-pyridinyl)-2-pyridin-2-ylethyl]piperazine
CID 3509612
1-[(1S)-1-(5-ethylthiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302999
1-[(1R)-1-(5-ethylthiophen-2-yl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311160
1-[(1R)-2-cyclopropyl-1-(5-ethylthiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171293988
1-[2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethyl]piperazine
CID 4040392
1-[1-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylethyl]piperazine
CID 5224367
1-[1-(2-methoxyphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane
CID 3734748
methyl 2-(5-ethylthiophen-2-yl)-2-piperazin-1-ylacetate
CID 62347366
1-[(S)-cyclohexyl-(5-ethylthiophen-2-yl)methyl]piperazine
CID 171281355
1-[(5-ethylthiophen-2-yl)-(2-methoxyphenyl)methyl]-1,4-diazepane
CID 3831048
1-[(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]piperazine
CID 3902292

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-ethylthiophen-2-yl)-2-pyridin-2-ylethyl]piperazine?
The IUPAC name of 1-[1-(5-ethylthiophen-2-yl)-2-pyridin-2-ylethyl]piperazine (CID 4642854) is 1-[1-(5-ethylthiophen-2-yl)-2-pyridin-2-ylethyl]piperazine.
What is the SMILES notation for 1-[1-(5-ethylthiophen-2-yl)-2-pyridin-2-ylethyl]piperazine?
The canonical SMILES for 1-[1-(5-ethylthiophen-2-yl)-2-pyridin-2-ylethyl]piperazine is CCc1ccc(C(Cc2ccccn2)N2CCNCC2)s1.
What is the InChIKey of 1-[1-(5-ethylthiophen-2-yl)-2-pyridin-2-ylethyl]piperazine?
The InChIKey is VBGVXVDXCLSJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-2-15-6-7-17(21-15)16(20-11-9-18-10-12-20)13-14-5-3-4-8-19-14/h3-8,16,18H,2,9-13H2,1H3.
What are the key properties of 1-[1-(5-ethylthiophen-2-yl)-2-pyridin-2-ylethyl]piperazine?
1-[1-(5-ethylthiophen-2-yl)-2-pyridin-2-ylethyl]piperazine has a molecular weight of 301.46 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-ethylthiophen-2-yl)-2-pyridin-2-ylethyl]piperazine is sourced from PubChem (CID 4642854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).