(S)-[1-[(1-methylindol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol

C20H24N2OS — CID 99946416

IUPAC(S)-[1-[(1-methylindol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
SMILESCn1ccc2cc(CN3CCC([C@H](O)c4cccs4)CC3)ccc21
InChIInChI=1S/C20H24N2OS/c1-21-9-6-17-13-15(4-5-18(17)21)14-22-10-7-16(8-11-22)20(23)19-3-2-12-24-19/h2-6,9,12-13,16,20,23H,7-8,10-11,14H2,1H3/t20-/m0/s1
InChIKeyVDZILAYETSUTRJ-FQEVSTJZSA-N
MW340.49 g/mol
LogP4.19
Rot. Bonds4

About (S)-[1-[(1-methylindol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol

(S)-[1-[(1-methylindol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol (PubChem CID 99946416) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is (S)-[1-[(1-methylindol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(S)-[1-[(1-methylindol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
PubChem CID99946416
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name(S)-[1-[(1-methylindol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
SMILESCn1ccc2cc(CN3CCC([C@H](O)c4cccs4)CC3)ccc21
InChIInChI=1S/C20H24N2OS/c1-21-9-6-17-13-15(4-5-18(17)21)14-22-10-7-16(8-11-22)20(23)19-3-2-12-24-19/h2-6,9,12-13,16,20,23H,7-8,10-11,14H2,1H3/t20-/m0/s1
InChIKeyVDZILAYETSUTRJ-FQEVSTJZSA-N
XLogP4.19
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (S)-[1-[(1-methylindol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (S)-[1-[(1-methylindol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol?
The IUPAC name of (S)-[1-[(1-methylindol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol (CID 99946416) is (S)-[1-[(1-methylindol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol.
What is the SMILES notation for (S)-[1-[(1-methylindol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol?
The canonical SMILES for (S)-[1-[(1-methylindol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol is Cn1ccc2cc(CN3CCC([C@H](O)c4cccs4)CC3)ccc21.
What is the InChIKey of (S)-[1-[(1-methylindol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol?
The InChIKey is VDZILAYETSUTRJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-21-9-6-17-13-15(4-5-18(17)21)14-22-10-7-16(8-11-22)20(23)19-3-2-12-24-19/h2-6,9,12-13,16,20,23H,7-8,10-11,14H2,1H3/t20-/m0/s1.
What are the key properties of (S)-[1-[(1-methylindol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol?
(S)-[1-[(1-methylindol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol has a molecular weight of 340.49 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[1-[(1-methylindol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol is sourced from PubChem (CID 99946416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).