3-[(1-ethyl-2-methylindol-3-yl)methyl]-1-propylpiperidin-4-ol

C20H30N2O — CID 110537891

IUPAC3-[(1-ethyl-2-methylindol-3-yl)methyl]-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)C(Cc2c(C)n(CC)c3ccccc23)C1
InChIInChI=1S/C20H30N2O/c1-4-11-21-12-10-20(23)16(14-21)13-18-15(3)22(5-2)19-9-7-6-8-17(18)19/h6-9,16,20,23H,4-5,10-14H2,1-3H3
InChIKeyOKKSUTGGQATBGG-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.60
Rot. Bonds5

About 3-[(1-ethyl-2-methylindol-3-yl)methyl]-1-propylpiperidin-4-ol

3-[(1-ethyl-2-methylindol-3-yl)methyl]-1-propylpiperidin-4-ol (PubChem CID 110537891) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 3-[(1-ethyl-2-methylindol-3-yl)methyl]-1-propylpiperidin-4-ol.

Molecular Properties

Compound Name3-[(1-ethyl-2-methylindol-3-yl)methyl]-1-propylpiperidin-4-ol
PubChem CID110537891
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name3-[(1-ethyl-2-methylindol-3-yl)methyl]-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)C(Cc2c(C)n(CC)c3ccccc23)C1
InChIInChI=1S/C20H30N2O/c1-4-11-21-12-10-20(23)16(14-21)13-18-15(3)22(5-2)19-9-7-6-8-17(18)19/h6-9,16,20,23H,4-5,10-14H2,1-3H3
InChIKeyOKKSUTGGQATBGG-UHFFFAOYSA-N
XLogP3.60
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethyl-2-methylindol-3-yl)methyl]-1-propylpiperidin-4-ol?
The IUPAC name of 3-[(1-ethyl-2-methylindol-3-yl)methyl]-1-propylpiperidin-4-ol (CID 110537891) is 3-[(1-ethyl-2-methylindol-3-yl)methyl]-1-propylpiperidin-4-ol.
What is the SMILES notation for 3-[(1-ethyl-2-methylindol-3-yl)methyl]-1-propylpiperidin-4-ol?
The canonical SMILES for 3-[(1-ethyl-2-methylindol-3-yl)methyl]-1-propylpiperidin-4-ol is CCCN1CCC(O)C(Cc2c(C)n(CC)c3ccccc23)C1.
What is the InChIKey of 3-[(1-ethyl-2-methylindol-3-yl)methyl]-1-propylpiperidin-4-ol?
The InChIKey is OKKSUTGGQATBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-4-11-21-12-10-20(23)16(14-21)13-18-15(3)22(5-2)19-9-7-6-8-17(18)19/h6-9,16,20,23H,4-5,10-14H2,1-3H3.
What are the key properties of 3-[(1-ethyl-2-methylindol-3-yl)methyl]-1-propylpiperidin-4-ol?
3-[(1-ethyl-2-methylindol-3-yl)methyl]-1-propylpiperidin-4-ol has a molecular weight of 314.47 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethyl-2-methylindol-3-yl)methyl]-1-propylpiperidin-4-ol is sourced from PubChem (CID 110537891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).