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

C23H28N2O — CID 90467343

IUPAC[4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol
SMILESCc1cc(C)c2[nH]ccc2c1CN1CCCCC1c1ccc(CO)cc1
InChIInChI=1S/C23H28N2O/c1-16-13-17(2)23-20(10-11-24-23)21(16)14-25-12-4-3-5-22(25)19-8-6-18(15-26)7-9-19/h6-11,13,22,24,26H,3-5,12,14-15H2,1-2H3
InChIKeyYYEVKNMGTYISRH-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.00
Rot. Bonds4

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

[4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol (PubChem CID 90467343) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is [4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol
PubChem CID90467343
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name[4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol
SMILESCc1cc(C)c2[nH]ccc2c1CN1CCCCC1c1ccc(CO)cc1
InChIInChI=1S/C23H28N2O/c1-16-13-17(2)23-20(10-11-24-23)21(16)14-25-12-4-3-5-22(25)19-8-6-18(15-26)7-9-19/h6-11,13,22,24,26H,3-5,12,14-15H2,1-2H3
InChIKeyYYEVKNMGTYISRH-UHFFFAOYSA-N
XLogP5.00
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol?
The IUPAC name of [4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol (CID 90467343) is [4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol.
What is the SMILES notation for [4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol?
The canonical SMILES for [4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol is Cc1cc(C)c2[nH]ccc2c1CN1CCCCC1c1ccc(CO)cc1.
What is the InChIKey of [4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol?
The InChIKey is YYEVKNMGTYISRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-16-13-17(2)23-20(10-11-24-23)21(16)14-25-12-4-3-5-22(25)19-8-6-18(15-26)7-9-19/h6-11,13,22,24,26H,3-5,12,14-15H2,1-2H3.
What are the key properties of [4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol?
[4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol has a molecular weight of 348.49 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol is sourced from PubChem (CID 90467343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).