4-(1H-indol-3-yl)-1-methylpiperidin-3-ol

C14H18N2O — CID 12772954

IUPAC4-(1H-indol-3-yl)-1-methylpiperidin-3-ol
SMILESCN1CCC(c2c[nH]c3ccccc23)C(O)C1
InChIInChI=1S/C14H18N2O/c1-16-7-6-11(14(17)9-16)12-8-15-13-5-3-2-4-10(12)13/h2-5,8,11,14-15,17H,6-7,9H2,1H3
InChIKeyGVKCPEMZQPFRBK-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.95
Rot. Bonds1

About 4-(1H-indol-3-yl)-1-methylpiperidin-3-ol

4-(1H-indol-3-yl)-1-methylpiperidin-3-ol (PubChem CID 12772954) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-1-methylpiperidin-3-ol.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-1-methylpiperidin-3-ol
PubChem CID12772954
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-(1H-indol-3-yl)-1-methylpiperidin-3-ol
SMILESCN1CCC(c2c[nH]c3ccccc23)C(O)C1
InChIInChI=1S/C14H18N2O/c1-16-7-6-11(14(17)9-16)12-8-15-13-5-3-2-4-10(12)13/h2-5,8,11,14-15,17H,6-7,9H2,1H3
InChIKeyGVKCPEMZQPFRBK-UHFFFAOYSA-N
XLogP1.95
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-1-methylpiperidin-3-ol?
The IUPAC name of 4-(1H-indol-3-yl)-1-methylpiperidin-3-ol (CID 12772954) is 4-(1H-indol-3-yl)-1-methylpiperidin-3-ol.
What is the SMILES notation for 4-(1H-indol-3-yl)-1-methylpiperidin-3-ol?
The canonical SMILES for 4-(1H-indol-3-yl)-1-methylpiperidin-3-ol is CN1CCC(c2c[nH]c3ccccc23)C(O)C1.
What is the InChIKey of 4-(1H-indol-3-yl)-1-methylpiperidin-3-ol?
The InChIKey is GVKCPEMZQPFRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16-7-6-11(14(17)9-16)12-8-15-13-5-3-2-4-10(12)13/h2-5,8,11,14-15,17H,6-7,9H2,1H3.
What are the key properties of 4-(1H-indol-3-yl)-1-methylpiperidin-3-ol?
4-(1H-indol-3-yl)-1-methylpiperidin-3-ol has a molecular weight of 230.31 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-1-methylpiperidin-3-ol is sourced from PubChem (CID 12772954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).