1-[(1,5-dimethylindol-3-yl)methyl]-4-methylpiperidin-4-ol

C17H24N2O — CID 170792929

IUPAC1-[(1,5-dimethylindol-3-yl)methyl]-4-methylpiperidin-4-ol
SMILESCc1ccc2c(c1)c(CN1CCC(C)(O)CC1)cn2C
InChIInChI=1S/C17H24N2O/c1-13-4-5-16-15(10-13)14(11-18(16)3)12-19-8-6-17(2,20)7-9-19/h4-5,10-11,20H,6-9,12H2,1-3H3
InChIKeyYKOOYSJNAAAVDM-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.83
Rot. Bonds2

About 1-[(1,5-dimethylindol-3-yl)methyl]-4-methylpiperidin-4-ol

1-[(1,5-dimethylindol-3-yl)methyl]-4-methylpiperidin-4-ol (PubChem CID 170792929) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[(1,5-dimethylindol-3-yl)methyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(1,5-dimethylindol-3-yl)methyl]-4-methylpiperidin-4-ol
PubChem CID170792929
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[(1,5-dimethylindol-3-yl)methyl]-4-methylpiperidin-4-ol
SMILESCc1ccc2c(c1)c(CN1CCC(C)(O)CC1)cn2C
InChIInChI=1S/C17H24N2O/c1-13-4-5-16-15(10-13)14(11-18(16)3)12-19-8-6-17(2,20)7-9-19/h4-5,10-11,20H,6-9,12H2,1-3H3
InChIKeyYKOOYSJNAAAVDM-UHFFFAOYSA-N
XLogP2.83
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylindol-3-yl)methyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[(1,5-dimethylindol-3-yl)methyl]-4-methylpiperidin-4-ol (CID 170792929) is 1-[(1,5-dimethylindol-3-yl)methyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(1,5-dimethylindol-3-yl)methyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[(1,5-dimethylindol-3-yl)methyl]-4-methylpiperidin-4-ol is Cc1ccc2c(c1)c(CN1CCC(C)(O)CC1)cn2C.
What is the InChIKey of 1-[(1,5-dimethylindol-3-yl)methyl]-4-methylpiperidin-4-ol?
The InChIKey is YKOOYSJNAAAVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-4-5-16-15(10-13)14(11-18(16)3)12-19-8-6-17(2,20)7-9-19/h4-5,10-11,20H,6-9,12H2,1-3H3.
What are the key properties of 1-[(1,5-dimethylindol-3-yl)methyl]-4-methylpiperidin-4-ol?
1-[(1,5-dimethylindol-3-yl)methyl]-4-methylpiperidin-4-ol has a molecular weight of 272.39 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylindol-3-yl)methyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 170792929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).