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

C13H21ClN2S — CID 119929942

IUPAC5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
SMILESCl.c1cc2c(s1)CCN(CC1CCNCC1)C2
InChIInChI=1S/C13H20N2S.ClH/c1-5-14-6-2-11(1)9-15-7-3-13-12(10-15)4-8-16-13;/h4,8,11,14H,1-3,5-7,9-10H2;1H
InChIKeyNRRKHZZMSVZIIV-UHFFFAOYSA-N
MW272.84 g/mol
LogP2.53
Rot. Bonds2

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

5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride (PubChem CID 119929942) has the molecular formula C13H21ClN2S and a molecular weight of 272.84 g/mol. Its IUPAC name is 5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
PubChem CID119929942
Molecular FormulaC13H21ClN2S
Molecular Weight272.84 g/mol
Exact Mass272.11
IUPAC Name5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
SMILESCl.c1cc2c(s1)CCN(CC1CCNCC1)C2
InChIInChI=1S/C13H20N2S.ClH/c1-5-14-6-2-11(1)9-15-7-3-13-12(10-15)4-8-16-13;/h4,8,11,14H,1-3,5-7,9-10H2;1H
InChIKeyNRRKHZZMSVZIIV-UHFFFAOYSA-N
XLogP2.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.84
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The IUPAC name of 5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride (CID 119929942) is 5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride is Cl.c1cc2c(s1)CCN(CC1CCNCC1)C2.
What is the InChIKey of 5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The InChIKey is NRRKHZZMSVZIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S.ClH/c1-5-14-6-2-11(1)9-15-7-3-13-12(10-15)4-8-16-13;/h4,8,11,14H,1-3,5-7,9-10H2;1H.
What are the key properties of 5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride has a molecular weight of 272.84 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 119929942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).