4-methoxy-1-[(2-methyl-1H-indol-5-yl)methyl]piperidin-4-ol

C16H22N2O2 — CID 143658503

IUPAC4-methoxy-1-[(2-methyl-1H-indol-5-yl)methyl]piperidin-4-ol
SMILESCOC1(O)CCN(Cc2ccc3[nH]c(C)cc3c2)CC1
InChIInChI=1S/C16H22N2O2/c1-12-9-14-10-13(3-4-15(14)17-12)11-18-7-5-16(19,20-2)6-8-18/h3-4,9-10,17,19H,5-8,11H2,1-2H3
InChIKeyQXVLHWXRAVGYCW-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.41
Rot. Bonds3

About 4-methoxy-1-[(2-methyl-1H-indol-5-yl)methyl]piperidin-4-ol

4-methoxy-1-[(2-methyl-1H-indol-5-yl)methyl]piperidin-4-ol (PubChem CID 143658503) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-methoxy-1-[(2-methyl-1H-indol-5-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-methoxy-1-[(2-methyl-1H-indol-5-yl)methyl]piperidin-4-ol
PubChem CID143658503
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-methoxy-1-[(2-methyl-1H-indol-5-yl)methyl]piperidin-4-ol
SMILESCOC1(O)CCN(Cc2ccc3[nH]c(C)cc3c2)CC1
InChIInChI=1S/C16H22N2O2/c1-12-9-14-10-13(3-4-15(14)17-12)11-18-7-5-16(19,20-2)6-8-18/h3-4,9-10,17,19H,5-8,11H2,1-2H3
InChIKeyQXVLHWXRAVGYCW-UHFFFAOYSA-N
XLogP2.41
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[(2-methyl-1H-indol-5-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-methoxy-1-[(2-methyl-1H-indol-5-yl)methyl]piperidin-4-ol (CID 143658503) is 4-methoxy-1-[(2-methyl-1H-indol-5-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-methoxy-1-[(2-methyl-1H-indol-5-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-methoxy-1-[(2-methyl-1H-indol-5-yl)methyl]piperidin-4-ol is COC1(O)CCN(Cc2ccc3[nH]c(C)cc3c2)CC1.
What is the InChIKey of 4-methoxy-1-[(2-methyl-1H-indol-5-yl)methyl]piperidin-4-ol?
The InChIKey is QXVLHWXRAVGYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-9-14-10-13(3-4-15(14)17-12)11-18-7-5-16(19,20-2)6-8-18/h3-4,9-10,17,19H,5-8,11H2,1-2H3.
What are the key properties of 4-methoxy-1-[(2-methyl-1H-indol-5-yl)methyl]piperidin-4-ol?
4-methoxy-1-[(2-methyl-1H-indol-5-yl)methyl]piperidin-4-ol has a molecular weight of 274.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[(2-methyl-1H-indol-5-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 143658503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).