3-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1H-indole

C18H20N2S — CID 122190654

IUPAC3-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1H-indole
SMILESc1csc(CN2CCC(c3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C18H20N2S/c1-2-6-18-16(5-1)17(12-19-18)14-7-9-20(10-8-14)13-15-4-3-11-21-15/h1-6,11-12,14,19H,7-10,13H2
InChIKeyHKDXVUDRMLZQMX-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.61
Rot. Bonds3

About 3-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1H-indole

3-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1H-indole (PubChem CID 122190654) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name3-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1H-indole
PubChem CID122190654
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name3-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1H-indole
SMILESc1csc(CN2CCC(c3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C18H20N2S/c1-2-6-18-16(5-1)17(12-19-18)14-7-9-20(10-8-14)13-15-4-3-11-21-15/h1-6,11-12,14,19H,7-10,13H2
InChIKeyHKDXVUDRMLZQMX-UHFFFAOYSA-N
XLogP4.61
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Indalpine
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Eletriptan Hydrobromide
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Indole, 3-((4-methylpiperidino)methyl)-
CID 30438
GR-159897
CID 9953599
N-Skatylpiperidine
CID 21454
3-(2-(4-Pyridyl)ethyl)indole
CID 27934
3-[2-(piperidin-4-yl)ethyl]-1H-indole hydrochloride
CID 60196352
Indole, 3-(N-2-thiazolylformimidoyl)-
CID 135403056
N,N-Dimethyl-5-(methylthio)-1H-indole-3-ethanamine
CID 21180
2-(1H-indol-3-yl)-2-phenylethan-1-amine
CID 609935

Frequently Asked Questions

What is the IUPAC name of 3-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1H-indole?
The IUPAC name of 3-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1H-indole (CID 122190654) is 3-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1H-indole.
What is the SMILES notation for 3-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1H-indole?
The canonical SMILES for 3-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1H-indole is c1csc(CN2CCC(c3c[nH]c4ccccc34)CC2)c1.
What is the InChIKey of 3-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1H-indole?
The InChIKey is HKDXVUDRMLZQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-2-6-18-16(5-1)17(12-19-18)14-7-9-20(10-8-14)13-15-4-3-11-21-15/h1-6,11-12,14,19H,7-10,13H2.
What are the key properties of 3-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1H-indole?
3-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1H-indole has a molecular weight of 296.44 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1H-indole is sourced from PubChem (CID 122190654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).