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

C23H28N2O — CID 90468038

IUPAC[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-phenylpiperidin-4-yl]methanol
SMILESCc1cc(C)c2[nH]ccc2c1CN1CCC(CO)CC1c1ccccc1
InChIInChI=1S/C23H28N2O/c1-16-12-17(2)23-20(8-10-24-23)21(16)14-25-11-9-18(15-26)13-22(25)19-6-4-3-5-7-19/h3-8,10,12,18,22,24,26H,9,11,13-15H2,1-2H3
InChIKeyGPVRSVAIVVQZMJ-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.73
Rot. Bonds4

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

[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-phenylpiperidin-4-yl]methanol (PubChem CID 90468038) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is [1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-phenylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-phenylpiperidin-4-yl]methanol
PubChem CID90468038
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-phenylpiperidin-4-yl]methanol
SMILESCc1cc(C)c2[nH]ccc2c1CN1CCC(CO)CC1c1ccccc1
InChIInChI=1S/C23H28N2O/c1-16-12-17(2)23-20(8-10-24-23)21(16)14-25-11-9-18(15-26)13-22(25)19-6-4-3-5-7-19/h3-8,10,12,18,22,24,26H,9,11,13-15H2,1-2H3
InChIKeyGPVRSVAIVVQZMJ-UHFFFAOYSA-N
XLogP4.73
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-phenylpiperidin-4-yl]methanol?
The IUPAC name of [1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-phenylpiperidin-4-yl]methanol (CID 90468038) is [1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-phenylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-phenylpiperidin-4-yl]methanol?
The canonical SMILES for [1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-phenylpiperidin-4-yl]methanol is Cc1cc(C)c2[nH]ccc2c1CN1CCC(CO)CC1c1ccccc1.
What is the InChIKey of [1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-phenylpiperidin-4-yl]methanol?
The InChIKey is GPVRSVAIVVQZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-16-12-17(2)23-20(8-10-24-23)21(16)14-25-11-9-18(15-26)13-22(25)19-6-4-3-5-7-19/h3-8,10,12,18,22,24,26H,9,11,13-15H2,1-2H3.
What are the key properties of [1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-phenylpiperidin-4-yl]methanol?
[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-phenylpiperidin-4-yl]methanol has a molecular weight of 348.49 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-phenylpiperidin-4-yl]methanol is sourced from PubChem (CID 90468038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).