2,2,3,3,4,4,5,5,6,6-decadeuterio-1-(1-thiophen-2-ylcyclohexyl)piperidine;hydrochloride

C15H24ClNS — CID 71752356

IUPAC2,2,3,3,4,4,5,5,6,6-decadeuterio-1-(1-thiophen-2-ylcyclohexyl)piperidine;hydrochloride
SMILESCl.[2H]C1([2H])N(C2(c3cccs3)CCCCC2)C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C15H23NS.ClH/c1-3-9-15(10-4-1,14-8-7-13-17-14)16-11-5-2-6-12-16;/h7-8,13H,1-6,9-12H2;1H/i2D2,5D2,6D2,11D2,12D2;
InChIKeyIIPLEZRBGQCZMF-YSVDEZPHSA-N
MW295.95 g/mol
LogP4.82
Rot. Bonds2

About 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-(1-thiophen-2-ylcyclohexyl)piperidine;hydrochloride

2,2,3,3,4,4,5,5,6,6-decadeuterio-1-(1-thiophen-2-ylcyclohexyl)piperidine;hydrochloride (PubChem CID 71752356) has the molecular formula C15H24ClNS and a molecular weight of 295.95 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-(1-thiophen-2-ylcyclohexyl)piperidine;hydrochloride.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decadeuterio-1-(1-thiophen-2-ylcyclohexyl)piperidine;hydrochloride
PubChem CID71752356
Molecular FormulaC15H24ClNS
Molecular Weight295.95 g/mol
Exact Mass295.19
IUPAC Name2,2,3,3,4,4,5,5,6,6-decadeuterio-1-(1-thiophen-2-ylcyclohexyl)piperidine;hydrochloride
SMILESCl.[2H]C1([2H])N(C2(c3cccs3)CCCCC2)C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C15H23NS.ClH/c1-3-9-15(10-4-1,14-8-7-13-17-14)16-11-5-2-6-12-16;/h7-8,13H,1-6,9-12H2;1H/i2D2,5D2,6D2,11D2,12D2;
InChIKeyIIPLEZRBGQCZMF-YSVDEZPHSA-N
XLogP4.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.95
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-(1-thiophen-2-ylcyclohexyl)piperidine;hydrochloride?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-(1-thiophen-2-ylcyclohexyl)piperidine;hydrochloride (CID 71752356) is 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-(1-thiophen-2-ylcyclohexyl)piperidine;hydrochloride.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-(1-thiophen-2-ylcyclohexyl)piperidine;hydrochloride?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-(1-thiophen-2-ylcyclohexyl)piperidine;hydrochloride is Cl.[2H]C1([2H])N(C2(c3cccs3)CCCCC2)C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H].
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-(1-thiophen-2-ylcyclohexyl)piperidine;hydrochloride?
The InChIKey is IIPLEZRBGQCZMF-YSVDEZPHSA-N. The full InChI is InChI=1S/C15H23NS.ClH/c1-3-9-15(10-4-1,14-8-7-13-17-14)16-11-5-2-6-12-16;/h7-8,13H,1-6,9-12H2;1H/i2D2,5D2,6D2,11D2,12D2;.
What are the key properties of 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-(1-thiophen-2-ylcyclohexyl)piperidine;hydrochloride?
2,2,3,3,4,4,5,5,6,6-decadeuterio-1-(1-thiophen-2-ylcyclohexyl)piperidine;hydrochloride has a molecular weight of 295.95 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-(1-thiophen-2-ylcyclohexyl)piperidine;hydrochloride is sourced from PubChem (CID 71752356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).