3-thiophen-3-ylpiperidine;hydrochloride

C9H14ClNS — CID 45073822

IUPAC3-thiophen-3-ylpiperidine;hydrochloride
SMILESCl.c1cc(C2CCCNC2)cs1
InChIInChI=1S/C9H13NS.ClH/c1-2-8(6-10-4-1)9-3-5-11-7-9;/h3,5,7-8,10H,1-2,4,6H2;1H
InChIKeyWBBYZCGJCBDTLJ-UHFFFAOYSA-N
MW203.74 g/mol
LogP2.64
Rot. Bonds1

About 3-thiophen-3-ylpiperidine;hydrochloride

3-thiophen-3-ylpiperidine;hydrochloride (PubChem CID 45073822) has the molecular formula C9H14ClNS and a molecular weight of 203.74 g/mol. Its IUPAC name is 3-thiophen-3-ylpiperidine;hydrochloride.

Molecular Properties

Compound Name3-thiophen-3-ylpiperidine;hydrochloride
PubChem CID45073822
Molecular FormulaC9H14ClNS
Molecular Weight203.74 g/mol
Exact Mass203.05
IUPAC Name3-thiophen-3-ylpiperidine;hydrochloride
SMILESCl.c1cc(C2CCCNC2)cs1
InChIInChI=1S/C9H13NS.ClH/c1-2-8(6-10-4-1)9-3-5-11-7-9;/h3,5,7-8,10H,1-2,4,6H2;1H
InChIKeyWBBYZCGJCBDTLJ-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.74
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-ylpiperidine;hydrochloride?
The IUPAC name of 3-thiophen-3-ylpiperidine;hydrochloride (CID 45073822) is 3-thiophen-3-ylpiperidine;hydrochloride.
What is the SMILES notation for 3-thiophen-3-ylpiperidine;hydrochloride?
The canonical SMILES for 3-thiophen-3-ylpiperidine;hydrochloride is Cl.c1cc(C2CCCNC2)cs1.
What is the InChIKey of 3-thiophen-3-ylpiperidine;hydrochloride?
The InChIKey is WBBYZCGJCBDTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS.ClH/c1-2-8(6-10-4-1)9-3-5-11-7-9;/h3,5,7-8,10H,1-2,4,6H2;1H.
What are the key properties of 3-thiophen-3-ylpiperidine;hydrochloride?
3-thiophen-3-ylpiperidine;hydrochloride has a molecular weight of 203.74 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-ylpiperidine;hydrochloride is sourced from PubChem (CID 45073822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).