1-(2-cyclohexyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine

C22H29NOS2 — CID 54353790

IUPAC1-(2-cyclohexyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine
SMILESc1csc(C(=C2CCN(CCOC3CCCCC3)CC2)c2cccs2)c1
InChIInChI=1S/C22H29NOS2/c1-2-6-19(7-3-1)24-15-14-23-12-10-18(11-13-23)22(20-8-4-16-25-20)21-9-5-17-26-21/h4-5,8-9,16-17,19H,1-3,6-7,10-15H2
InChIKeyUHQWILCCFGZZHW-UHFFFAOYSA-N
MW387.61 g/mol
LogP6.06
Rot. Bonds6

About 1-(2-cyclohexyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine

1-(2-cyclohexyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine (PubChem CID 54353790) has the molecular formula C22H29NOS2 and a molecular weight of 387.61 g/mol. Its IUPAC name is 1-(2-cyclohexyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine.

Molecular Properties

Compound Name1-(2-cyclohexyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine
PubChem CID54353790
Molecular FormulaC22H29NOS2
Molecular Weight387.61 g/mol
Exact Mass387.17
IUPAC Name1-(2-cyclohexyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine
SMILESc1csc(C(=C2CCN(CCOC3CCCCC3)CC2)c2cccs2)c1
InChIInChI=1S/C22H29NOS2/c1-2-6-19(7-3-1)24-15-14-23-12-10-18(11-13-23)22(20-8-4-16-25-20)21-9-5-17-26-21/h4-5,8-9,16-17,19H,1-3,6-7,10-15H2
InChIKeyUHQWILCCFGZZHW-UHFFFAOYSA-N
XLogP6.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.61
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine?
The IUPAC name of 1-(2-cyclohexyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine (CID 54353790) is 1-(2-cyclohexyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine.
What is the SMILES notation for 1-(2-cyclohexyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine?
The canonical SMILES for 1-(2-cyclohexyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine is c1csc(C(=C2CCN(CCOC3CCCCC3)CC2)c2cccs2)c1.
What is the InChIKey of 1-(2-cyclohexyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine?
The InChIKey is UHQWILCCFGZZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NOS2/c1-2-6-19(7-3-1)24-15-14-23-12-10-18(11-13-23)22(20-8-4-16-25-20)21-9-5-17-26-21/h4-5,8-9,16-17,19H,1-3,6-7,10-15H2.
What are the key properties of 1-(2-cyclohexyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine?
1-(2-cyclohexyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine has a molecular weight of 387.61 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyloxyethyl)-4-(dithiophen-2-ylmethylidene)piperidine is sourced from PubChem (CID 54353790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).