[3-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol

C23H28N2O — CID 90466745

IUPAC[3-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol
SMILESCc1cc(C)c2[nH]ccc2c1CN1CCCCC1c1cccc(CO)c1
InChIInChI=1S/C23H28N2O/c1-16-12-17(2)23-20(9-10-24-23)21(16)14-25-11-4-3-8-22(25)19-7-5-6-18(13-19)15-26/h5-7,9-10,12-13,22,24,26H,3-4,8,11,14-15H2,1-2H3
InChIKeySJBIXPMKLHJQMG-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.00
Rot. Bonds4

About [3-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol

[3-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol (PubChem CID 90466745) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is [3-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol
PubChem CID90466745
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name[3-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol
SMILESCc1cc(C)c2[nH]ccc2c1CN1CCCCC1c1cccc(CO)c1
InChIInChI=1S/C23H28N2O/c1-16-12-17(2)23-20(9-10-24-23)21(16)14-25-11-4-3-8-22(25)19-7-5-6-18(13-19)15-26/h5-7,9-10,12-13,22,24,26H,3-4,8,11,14-15H2,1-2H3
InChIKeySJBIXPMKLHJQMG-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 [3-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol?
The IUPAC name of [3-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol (CID 90466745) is [3-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol.
What is the SMILES notation for [3-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol?
The canonical SMILES for [3-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol is Cc1cc(C)c2[nH]ccc2c1CN1CCCCC1c1cccc(CO)c1.
What is the InChIKey of [3-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol?
The InChIKey is SJBIXPMKLHJQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-16-12-17(2)23-20(9-10-24-23)21(16)14-25-11-4-3-8-22(25)19-7-5-6-18(13-19)15-26/h5-7,9-10,12-13,22,24,26H,3-4,8,11,14-15H2,1-2H3.
What are the key properties of [3-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol?
[3-[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 [3-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanol is sourced from PubChem (CID 90466745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).