2-butyl-4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-4,6-dimethylpiperidine

C18H30ClNOS — CID 167023854

IUPAC2-butyl-4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-4,6-dimethylpiperidine
SMILESCCCCC1CC(C)(c2sc(Cl)cc2CCOC)CC(C)N1
InChIInChI=1S/C18H30ClNOS/c1-5-6-7-15-12-18(3,11-13(2)20-15)17-14(8-9-21-4)10-16(19)22-17/h10,13,15,20H,5-9,11-12H2,1-4H3
InChIKeyIXBRKPMGMINVJI-UHFFFAOYSA-N
MW343.96 g/mol
LogP5.18
Rot. Bonds7

About 2-butyl-4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-4,6-dimethylpiperidine

2-butyl-4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-4,6-dimethylpiperidine (PubChem CID 167023854) has the molecular formula C18H30ClNOS and a molecular weight of 343.96 g/mol. Its IUPAC name is 2-butyl-4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-4,6-dimethylpiperidine.

Molecular Properties

Compound Name2-butyl-4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-4,6-dimethylpiperidine
PubChem CID167023854
Molecular FormulaC18H30ClNOS
Molecular Weight343.96 g/mol
Exact Mass343.17
IUPAC Name2-butyl-4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-4,6-dimethylpiperidine
SMILESCCCCC1CC(C)(c2sc(Cl)cc2CCOC)CC(C)N1
InChIInChI=1S/C18H30ClNOS/c1-5-6-7-15-12-18(3,11-13(2)20-15)17-14(8-9-21-4)10-16(19)22-17/h10,13,15,20H,5-9,11-12H2,1-4H3
InChIKeyIXBRKPMGMINVJI-UHFFFAOYSA-N
XLogP5.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.96
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-4,6-dimethylpiperidine?
The IUPAC name of 2-butyl-4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-4,6-dimethylpiperidine (CID 167023854) is 2-butyl-4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-4,6-dimethylpiperidine.
What is the SMILES notation for 2-butyl-4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-4,6-dimethylpiperidine?
The canonical SMILES for 2-butyl-4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-4,6-dimethylpiperidine is CCCCC1CC(C)(c2sc(Cl)cc2CCOC)CC(C)N1.
What is the InChIKey of 2-butyl-4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-4,6-dimethylpiperidine?
The InChIKey is IXBRKPMGMINVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClNOS/c1-5-6-7-15-12-18(3,11-13(2)20-15)17-14(8-9-21-4)10-16(19)22-17/h10,13,15,20H,5-9,11-12H2,1-4H3.
What are the key properties of 2-butyl-4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-4,6-dimethylpiperidine?
2-butyl-4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-4,6-dimethylpiperidine has a molecular weight of 343.96 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-4,6-dimethylpiperidine is sourced from PubChem (CID 167023854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).