7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole;hydrochloride

C18H23ClN2S — CID 120849431

IUPAC7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole;hydrochloride
SMILESCl.c1cc2c(c(CN3CCC(c4ccsc4)CC3)c1)NCC2
InChIInChI=1S/C18H22N2S.ClH/c1-2-15-4-8-19-18(15)16(3-1)12-20-9-5-14(6-10-20)17-7-11-21-13-17;/h1-3,7,11,13-14,19H,4-6,8-10,12H2;1H
InChIKeySLMUNJXDABBZAM-UHFFFAOYSA-N
MW334.92 g/mol
LogP4.52
Rot. Bonds3

About 7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole;hydrochloride

7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole;hydrochloride (PubChem CID 120849431) has the molecular formula C18H23ClN2S and a molecular weight of 334.92 g/mol. Its IUPAC name is 7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole;hydrochloride.

Molecular Properties

Compound Name7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole;hydrochloride
PubChem CID120849431
Molecular FormulaC18H23ClN2S
Molecular Weight334.92 g/mol
Exact Mass334.13
IUPAC Name7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole;hydrochloride
SMILESCl.c1cc2c(c(CN3CCC(c4ccsc4)CC3)c1)NCC2
InChIInChI=1S/C18H22N2S.ClH/c1-2-15-4-8-19-18(15)16(3-1)12-20-9-5-14(6-10-20)17-7-11-21-13-17;/h1-3,7,11,13-14,19H,4-6,8-10,12H2;1H
InChIKeySLMUNJXDABBZAM-UHFFFAOYSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.92
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole;hydrochloride?
The IUPAC name of 7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole;hydrochloride (CID 120849431) is 7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole;hydrochloride.
What is the SMILES notation for 7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole;hydrochloride?
The canonical SMILES for 7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole;hydrochloride is Cl.c1cc2c(c(CN3CCC(c4ccsc4)CC3)c1)NCC2.
What is the InChIKey of 7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole;hydrochloride?
The InChIKey is SLMUNJXDABBZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S.ClH/c1-2-15-4-8-19-18(15)16(3-1)12-20-9-5-14(6-10-20)17-7-11-21-13-17;/h1-3,7,11,13-14,19H,4-6,8-10,12H2;1H.
What are the key properties of 7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole;hydrochloride?
7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole;hydrochloride has a molecular weight of 334.92 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole;hydrochloride is sourced from PubChem (CID 120849431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).