4-methyl-5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride

C14H23ClN2S — CID 119929810

IUPAC4-methyl-5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
SMILESCC1c2ccsc2CCN1CC1CCNCC1.Cl
InChIInChI=1S/C14H22N2S.ClH/c1-11-13-5-9-17-14(13)4-8-16(11)10-12-2-6-15-7-3-12;/h5,9,11-12,15H,2-4,6-8,10H2,1H3;1H
InChIKeyCVDIOQLOEADSNR-UHFFFAOYSA-N
MW286.87 g/mol
LogP3.09
Rot. Bonds2

About 4-methyl-5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride

4-methyl-5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride (PubChem CID 119929810) has the molecular formula C14H23ClN2S and a molecular weight of 286.87 g/mol. Its IUPAC name is 4-methyl-5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name4-methyl-5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
PubChem CID119929810
Molecular FormulaC14H23ClN2S
Molecular Weight286.87 g/mol
Exact Mass286.13
IUPAC Name4-methyl-5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
SMILESCC1c2ccsc2CCN1CC1CCNCC1.Cl
InChIInChI=1S/C14H22N2S.ClH/c1-11-13-5-9-17-14(13)4-8-16(11)10-12-2-6-15-7-3-12;/h5,9,11-12,15H,2-4,6-8,10H2,1H3;1H
InChIKeyCVDIOQLOEADSNR-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.87
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The IUPAC name of 4-methyl-5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride (CID 119929810) is 4-methyl-5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 4-methyl-5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 4-methyl-5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride is CC1c2ccsc2CCN1CC1CCNCC1.Cl.
What is the InChIKey of 4-methyl-5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The InChIKey is CVDIOQLOEADSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S.ClH/c1-11-13-5-9-17-14(13)4-8-16(11)10-12-2-6-15-7-3-12;/h5,9,11-12,15H,2-4,6-8,10H2,1H3;1H.
What are the key properties of 4-methyl-5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
4-methyl-5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride has a molecular weight of 286.87 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 119929810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).