2-[1-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C17H27ClN2S — CID 79918302

IUPAC2-[1-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC(C)C1CN2CCCCC2CN1C(C)c1ccc(Cl)s1
InChIInChI=1S/C17H27ClN2S/c1-12(2)15-11-19-9-5-4-6-14(19)10-20(15)13(3)16-7-8-17(18)21-16/h7-8,12-15H,4-6,9-11H2,1-3H3
InChIKeyKYDJADJXBGNZLV-UHFFFAOYSA-N
MW326.94 g/mol
LogP4.66
Rot. Bonds3

About 2-[1-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

2-[1-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 79918302) has the molecular formula C17H27ClN2S and a molecular weight of 326.94 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[1-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID79918302
Molecular FormulaC17H27ClN2S
Molecular Weight326.94 g/mol
Exact Mass326.16
IUPAC Name2-[1-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC(C)C1CN2CCCCC2CN1C(C)c1ccc(Cl)s1
InChIInChI=1S/C17H27ClN2S/c1-12(2)15-11-19-9-5-4-6-14(19)10-20(15)13(3)16-7-8-17(18)21-16/h7-8,12-15H,4-6,9-11H2,1-3H3
InChIKeyKYDJADJXBGNZLV-UHFFFAOYSA-N
XLogP4.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.94
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine with MolForge

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Related Compounds

1-(5-chlorothiophen-2-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-amine
CID 79920196
4-methyl-2-[1-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole
CID 79916202
2-(dicyclopropylmethyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79915707
2-(1-cyclopentylethyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925947
1-[1-(5-chlorothiophen-2-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine
CID 64947386
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(5-chlorothiophen-2-yl)propan-2-amine
CID 63150324
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-chlorothiophen-2-yl)butan-2-amine
CID 79918784
1-[1-(5-chlorothiophen-2-yl)ethyl]-2-pyrrolidin-2-ylpiperidine
CID 63256751
2-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929608
1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-amine
CID 61297752
2-pentan-3-yl-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931014
2-(3-chloro-2-methylphenyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79917891

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-[1-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 79918302) is 2-[1-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-[1-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-[1-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CC(C)C1CN2CCCCC2CN1C(C)c1ccc(Cl)s1.
What is the InChIKey of 2-[1-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is KYDJADJXBGNZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2S/c1-12(2)15-11-19-9-5-4-6-14(19)10-20(15)13(3)16-7-8-17(18)21-16/h7-8,12-15H,4-6,9-11H2,1-3H3.
What are the key properties of 2-[1-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-[1-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 326.94 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 79918302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).