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

C14H18N2O — CID 12900687

IUPAC3-(1H-indol-4-yl)-1-methylpiperidin-3-ol
SMILESCN1CCCC(O)(c2cccc3[nH]ccc23)C1
InChIInChI=1S/C14H18N2O/c1-16-9-3-7-14(17,10-16)12-4-2-5-13-11(12)6-8-15-13/h2,4-6,8,15,17H,3,7,9-10H2,1H3
InChIKeyLBNAIQANZHEBAN-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.08
Rot. Bonds1

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

3-(1H-indol-4-yl)-1-methylpiperidin-3-ol (PubChem CID 12900687) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(1H-indol-4-yl)-1-methylpiperidin-3-ol.

Molecular Properties

Compound Name3-(1H-indol-4-yl)-1-methylpiperidin-3-ol
PubChem CID12900687
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-(1H-indol-4-yl)-1-methylpiperidin-3-ol
SMILESCN1CCCC(O)(c2cccc3[nH]ccc23)C1
InChIInChI=1S/C14H18N2O/c1-16-9-3-7-14(17,10-16)12-4-2-5-13-11(12)6-8-15-13/h2,4-6,8,15,17H,3,7,9-10H2,1H3
InChIKeyLBNAIQANZHEBAN-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-4-yl)-1-methylpiperidin-3-ol?
The IUPAC name of 3-(1H-indol-4-yl)-1-methylpiperidin-3-ol (CID 12900687) is 3-(1H-indol-4-yl)-1-methylpiperidin-3-ol.
What is the SMILES notation for 3-(1H-indol-4-yl)-1-methylpiperidin-3-ol?
The canonical SMILES for 3-(1H-indol-4-yl)-1-methylpiperidin-3-ol is CN1CCCC(O)(c2cccc3[nH]ccc23)C1.
What is the InChIKey of 3-(1H-indol-4-yl)-1-methylpiperidin-3-ol?
The InChIKey is LBNAIQANZHEBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16-9-3-7-14(17,10-16)12-4-2-5-13-11(12)6-8-15-13/h2,4-6,8,15,17H,3,7,9-10H2,1H3.
What are the key properties of 3-(1H-indol-4-yl)-1-methylpiperidin-3-ol?
3-(1H-indol-4-yl)-1-methylpiperidin-3-ol has a molecular weight of 230.31 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-4-yl)-1-methylpiperidin-3-ol is sourced from PubChem (CID 12900687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).