1-cyclopropyl-4-(dithiophen-2-ylmethyl)piperidine

C17H21NS2 — CID 20575168

IUPAC1-cyclopropyl-4-(dithiophen-2-ylmethyl)piperidine
SMILESc1csc(C(c2cccs2)C2CCN(C3CC3)CC2)c1
InChIInChI=1S/C17H21NS2/c1-3-15(19-11-1)17(16-4-2-12-20-16)13-7-9-18(10-8-13)14-5-6-14/h1-4,11-14,17H,5-10H2
InChIKeyCVRNHIXFNRHZGH-UHFFFAOYSA-N
MW303.50 g/mol
LogP4.82
Rot. Bonds4

About 1-cyclopropyl-4-(dithiophen-2-ylmethyl)piperidine

1-cyclopropyl-4-(dithiophen-2-ylmethyl)piperidine (PubChem CID 20575168) has the molecular formula C17H21NS2 and a molecular weight of 303.50 g/mol. Its IUPAC name is 1-cyclopropyl-4-(dithiophen-2-ylmethyl)piperidine.

Molecular Properties

Compound Name1-cyclopropyl-4-(dithiophen-2-ylmethyl)piperidine
PubChem CID20575168
Molecular FormulaC17H21NS2
Molecular Weight303.50 g/mol
Exact Mass303.11
IUPAC Name1-cyclopropyl-4-(dithiophen-2-ylmethyl)piperidine
SMILESc1csc(C(c2cccs2)C2CCN(C3CC3)CC2)c1
InChIInChI=1S/C17H21NS2/c1-3-15(19-11-1)17(16-4-2-12-20-16)13-7-9-18(10-8-13)14-5-6-14/h1-4,11-14,17H,5-10H2
InChIKeyCVRNHIXFNRHZGH-UHFFFAOYSA-N
XLogP4.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.50
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(dithiophen-2-ylmethyl)piperidine?
The IUPAC name of 1-cyclopropyl-4-(dithiophen-2-ylmethyl)piperidine (CID 20575168) is 1-cyclopropyl-4-(dithiophen-2-ylmethyl)piperidine.
What is the SMILES notation for 1-cyclopropyl-4-(dithiophen-2-ylmethyl)piperidine?
The canonical SMILES for 1-cyclopropyl-4-(dithiophen-2-ylmethyl)piperidine is c1csc(C(c2cccs2)C2CCN(C3CC3)CC2)c1.
What is the InChIKey of 1-cyclopropyl-4-(dithiophen-2-ylmethyl)piperidine?
The InChIKey is CVRNHIXFNRHZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS2/c1-3-15(19-11-1)17(16-4-2-12-20-16)13-7-9-18(10-8-13)14-5-6-14/h1-4,11-14,17H,5-10H2.
What are the key properties of 1-cyclopropyl-4-(dithiophen-2-ylmethyl)piperidine?
1-cyclopropyl-4-(dithiophen-2-ylmethyl)piperidine has a molecular weight of 303.50 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(dithiophen-2-ylmethyl)piperidine is sourced from PubChem (CID 20575168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).