5,7-dimethyl-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]-1H-indole

C22H26N2 — CID 124673805

IUPAC5,7-dimethyl-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]-1H-indole
SMILESCc1cc(C)c2[nH]ccc2c1CN1CCCC[C@H]1c1ccccc1
InChIInChI=1S/C22H26N2/c1-16-14-17(2)22-19(11-12-23-22)20(16)15-24-13-7-6-10-21(24)18-8-4-3-5-9-18/h3-5,8-9,11-12,14,21,23H,6-7,10,13,15H2,1-2H3/t21-/m0/s1
InChIKeyGRJUTCRGMYGLQC-NRFANRHFSA-N
MW318.46 g/mol
LogP5.51
Rot. Bonds3

About 5,7-dimethyl-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]-1H-indole

5,7-dimethyl-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]-1H-indole (PubChem CID 124673805) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 5,7-dimethyl-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name5,7-dimethyl-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]-1H-indole
PubChem CID124673805
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Name5,7-dimethyl-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]-1H-indole
SMILESCc1cc(C)c2[nH]ccc2c1CN1CCCC[C@H]1c1ccccc1
InChIInChI=1S/C22H26N2/c1-16-14-17(2)22-19(11-12-23-22)20(16)15-24-13-7-6-10-21(24)18-8-4-3-5-9-18/h3-5,8-9,11-12,14,21,23H,6-7,10,13,15H2,1-2H3/t21-/m0/s1
InChIKeyGRJUTCRGMYGLQC-NRFANRHFSA-N
XLogP5.51
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]-1H-indole?
The IUPAC name of 5,7-dimethyl-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]-1H-indole (CID 124673805) is 5,7-dimethyl-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 5,7-dimethyl-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]-1H-indole?
The canonical SMILES for 5,7-dimethyl-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]-1H-indole is Cc1cc(C)c2[nH]ccc2c1CN1CCCC[C@H]1c1ccccc1.
What is the InChIKey of 5,7-dimethyl-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]-1H-indole?
The InChIKey is GRJUTCRGMYGLQC-NRFANRHFSA-N. The full InChI is InChI=1S/C22H26N2/c1-16-14-17(2)22-19(11-12-23-22)20(16)15-24-13-7-6-10-21(24)18-8-4-3-5-9-18/h3-5,8-9,11-12,14,21,23H,6-7,10,13,15H2,1-2H3/t21-/m0/s1.
What are the key properties of 5,7-dimethyl-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]-1H-indole?
5,7-dimethyl-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]-1H-indole has a molecular weight of 318.46 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-4-[[(2S)-2-phenylpiperidin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 124673805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).