1-[1-(5-chlorothiophen-2-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine

C16H25ClN2S — CID 64947386

IUPAC1-[1-(5-chlorothiophen-2-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C2CC2)CN1C(C)c1ccc(Cl)s1
InChIInChI=1S/C16H25ClN2S/c1-10(2)14-8-18-13(12-4-5-12)9-19(14)11(3)15-6-7-16(17)20-15/h6-7,10-14,18H,4-5,8-9H2,1-3H3
InChIKeyQFWCIHLBASAMQB-UHFFFAOYSA-N
MW312.91 g/mol
LogP4.17
Rot. Bonds4

About 1-[1-(5-chlorothiophen-2-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine

1-[1-(5-chlorothiophen-2-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine (PubChem CID 64947386) has the molecular formula C16H25ClN2S and a molecular weight of 312.91 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-2-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-2-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine
PubChem CID64947386
Molecular FormulaC16H25ClN2S
Molecular Weight312.91 g/mol
Exact Mass312.14
IUPAC Name1-[1-(5-chlorothiophen-2-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C2CC2)CN1C(C)c1ccc(Cl)s1
InChIInChI=1S/C16H25ClN2S/c1-10(2)14-8-18-13(12-4-5-12)9-19(14)11(3)15-6-7-16(17)20-15/h6-7,10-14,18H,4-5,8-9H2,1-3H3
InChIKeyQFWCIHLBASAMQB-UHFFFAOYSA-N
XLogP4.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.91
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-1-[1-(2-methylphenyl)ethyl]-2-propan-2-ylpiperazine
CID 64947427
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
5-cyclopropyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-propan-2-ylpiperazine
CID 64940311
5-cyclopropyl-1-(1-methoxypropan-2-yl)-2-propan-2-ylpiperazine
CID 64932375
5-cyclopropyl-1-(3-methylpentan-2-yl)-2-propan-2-ylpiperazine
CID 64934402
1-[1-(5-chlorothiophen-2-yl)ethyl]-2-pyrrolidin-2-ylpiperidine
CID 63256751
5-cyclopropyl-2-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine
CID 64934312
1-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethylpiperazine
CID 63862940
5-cyclohexyl-1-(1-cyclopropylethyl)-2-propan-2-ylpiperazine
CID 64934247
5-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-2-propan-2-ylpiperazine
CID 107579965
1-[1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-methylpiperazine
CID 64946271
5-cyclopropyl-1-(2,6-dibromophenyl)-2-propan-2-ylpiperazine
CID 107603823

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine (CID 64947386) is 1-[1-(5-chlorothiophen-2-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[1-(5-chlorothiophen-2-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[1-(5-chlorothiophen-2-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine is CC(C)C1CNC(C2CC2)CN1C(C)c1ccc(Cl)s1.
What is the InChIKey of 1-[1-(5-chlorothiophen-2-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine?
The InChIKey is QFWCIHLBASAMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2S/c1-10(2)14-8-18-13(12-4-5-12)9-19(14)11(3)15-6-7-16(17)20-15/h6-7,10-14,18H,4-5,8-9H2,1-3H3.
What are the key properties of 1-[1-(5-chlorothiophen-2-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine?
1-[1-(5-chlorothiophen-2-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine has a molecular weight of 312.91 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophen-2-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64947386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).