1-piperidin-1-yl-3-thiophen-2-ylisoquinoline;hydrochloride

C18H19ClN2S — CID 90681454

IUPAC1-piperidin-1-yl-3-thiophen-2-ylisoquinoline;hydrochloride
SMILESCl.c1csc(-c2cc3ccccc3c(N3CCCCC3)n2)c1
InChIInChI=1S/C18H18N2S.ClH/c1-4-10-20(11-5-1)18-15-8-3-2-7-14(15)13-16(19-18)17-9-6-12-21-17;/h2-3,6-9,12-13H,1,4-5,10-11H2;1H
InChIKeyUVPPACVFBSXIQP-UHFFFAOYSA-N
MW330.88 g/mol
LogP5.38
Rot. Bonds2

About 1-piperidin-1-yl-3-thiophen-2-ylisoquinoline;hydrochloride

1-piperidin-1-yl-3-thiophen-2-ylisoquinoline;hydrochloride (PubChem CID 90681454) has the molecular formula C18H19ClN2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-thiophen-2-ylisoquinoline;hydrochloride.

Molecular Properties

Compound Name1-piperidin-1-yl-3-thiophen-2-ylisoquinoline;hydrochloride
PubChem CID90681454
Molecular FormulaC18H19ClN2S
Molecular Weight330.88 g/mol
Exact Mass330.10
IUPAC Name1-piperidin-1-yl-3-thiophen-2-ylisoquinoline;hydrochloride
SMILESCl.c1csc(-c2cc3ccccc3c(N3CCCCC3)n2)c1
InChIInChI=1S/C18H18N2S.ClH/c1-4-10-20(11-5-1)18-15-8-3-2-7-14(15)13-16(19-18)17-9-6-12-21-17;/h2-3,6-9,12-13H,1,4-5,10-11H2;1H
InChIKeyUVPPACVFBSXIQP-UHFFFAOYSA-N
XLogP5.38
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.88
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-thiophen-2-ylisoquinoline;hydrochloride?
The IUPAC name of 1-piperidin-1-yl-3-thiophen-2-ylisoquinoline;hydrochloride (CID 90681454) is 1-piperidin-1-yl-3-thiophen-2-ylisoquinoline;hydrochloride.
What is the SMILES notation for 1-piperidin-1-yl-3-thiophen-2-ylisoquinoline;hydrochloride?
The canonical SMILES for 1-piperidin-1-yl-3-thiophen-2-ylisoquinoline;hydrochloride is Cl.c1csc(-c2cc3ccccc3c(N3CCCCC3)n2)c1.
What is the InChIKey of 1-piperidin-1-yl-3-thiophen-2-ylisoquinoline;hydrochloride?
The InChIKey is UVPPACVFBSXIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S.ClH/c1-4-10-20(11-5-1)18-15-8-3-2-7-14(15)13-16(19-18)17-9-6-12-21-17;/h2-3,6-9,12-13H,1,4-5,10-11H2;1H.
What are the key properties of 1-piperidin-1-yl-3-thiophen-2-ylisoquinoline;hydrochloride?
1-piperidin-1-yl-3-thiophen-2-ylisoquinoline;hydrochloride has a molecular weight of 330.88 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-thiophen-2-ylisoquinoline;hydrochloride is sourced from PubChem (CID 90681454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).