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

C13H21ClN2S — CID 119929943

IUPAC5-(piperidin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
SMILESCl.c1cc2c(s1)CCN(CC1CCCNC1)C2
InChIInChI=1S/C13H20N2S.ClH/c1-2-11(8-14-5-1)9-15-6-3-13-12(10-15)4-7-16-13;/h4,7,11,14H,1-3,5-6,8-10H2;1H
InChIKeyNAQVDHSDFGCRBV-UHFFFAOYSA-N
MW272.84 g/mol
LogP2.53
Rot. Bonds2

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

5-(piperidin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride (PubChem CID 119929943) has the molecular formula C13H21ClN2S and a molecular weight of 272.84 g/mol. Its IUPAC name is 5-(piperidin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name5-(piperidin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
PubChem CID119929943
Molecular FormulaC13H21ClN2S
Molecular Weight272.84 g/mol
Exact Mass272.11
IUPAC Name5-(piperidin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
SMILESCl.c1cc2c(s1)CCN(CC1CCCNC1)C2
InChIInChI=1S/C13H20N2S.ClH/c1-2-11(8-14-5-1)9-15-6-3-13-12(10-15)4-7-16-13;/h4,7,11,14H,1-3,5-6,8-10H2;1H
InChIKeyNAQVDHSDFGCRBV-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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Related Compounds

4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485298
2-phenyl-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine
CID 20115426
4,5,6,7-Tetrahydrothieno(3,2-c)pyridine
CID 3085076
7-methyl-4H,5H,6H,7H-thieno(2,3-c)pyridine
CID 14548169
2-Methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 18377285
7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridine
CID 14548167
[1-(Thiophen-2-ylmethyl)piperidin-4-yl]methanamine
CID 23004745
4-ethyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485296
4-cyclopropyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485297
4,5,6,7-Tetrahydrothieno(3,2-c)pyridinium chloride
CID 10176342
Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-(2-phenylethyl)-, monohydrochloride
CID 3041288
4H,5H,6H,7H-thieno(2,3-c)pyridine
CID 12337025

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The IUPAC name of 5-(piperidin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride (CID 119929943) is 5-(piperidin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 5-(piperidin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 5-(piperidin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride is Cl.c1cc2c(s1)CCN(CC1CCCNC1)C2.
What is the InChIKey of 5-(piperidin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The InChIKey is NAQVDHSDFGCRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S.ClH/c1-2-11(8-14-5-1)9-15-6-3-13-12(10-15)4-7-16-13;/h4,7,11,14H,1-3,5-6,8-10H2;1H.
What are the key properties of 5-(piperidin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
5-(piperidin-3-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-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 119929943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).