(1-piperidin-4-yl-2,3-dihydroindol-5-yl)methanol

C14H20N2O — CID 121204209

IUPAC(1-piperidin-4-yl-2,3-dihydroindol-5-yl)methanol
SMILESOCc1ccc2c(c1)CCN2C1CCNCC1
InChIInChI=1S/C14H20N2O/c17-10-11-1-2-14-12(9-11)5-8-16(14)13-3-6-15-7-4-13/h1-2,9,13,15,17H,3-8,10H2
InChIKeyXLSPXWUQKMEWJN-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.29
Rot. Bonds2

About (1-piperidin-4-yl-2,3-dihydroindol-5-yl)methanol

(1-piperidin-4-yl-2,3-dihydroindol-5-yl)methanol (PubChem CID 121204209) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (1-piperidin-4-yl-2,3-dihydroindol-5-yl)methanol.

Molecular Properties

Compound Name(1-piperidin-4-yl-2,3-dihydroindol-5-yl)methanol
PubChem CID121204209
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(1-piperidin-4-yl-2,3-dihydroindol-5-yl)methanol
SMILESOCc1ccc2c(c1)CCN2C1CCNCC1
InChIInChI=1S/C14H20N2O/c17-10-11-1-2-14-12(9-11)5-8-16(14)13-3-6-15-7-4-13/h1-2,9,13,15,17H,3-8,10H2
InChIKeyXLSPXWUQKMEWJN-UHFFFAOYSA-N
XLogP1.29
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-piperidin-4-yl-2,3-dihydroindol-5-yl)methanol?
The IUPAC name of (1-piperidin-4-yl-2,3-dihydroindol-5-yl)methanol (CID 121204209) is (1-piperidin-4-yl-2,3-dihydroindol-5-yl)methanol.
What is the SMILES notation for (1-piperidin-4-yl-2,3-dihydroindol-5-yl)methanol?
The canonical SMILES for (1-piperidin-4-yl-2,3-dihydroindol-5-yl)methanol is OCc1ccc2c(c1)CCN2C1CCNCC1.
What is the InChIKey of (1-piperidin-4-yl-2,3-dihydroindol-5-yl)methanol?
The InChIKey is XLSPXWUQKMEWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c17-10-11-1-2-14-12(9-11)5-8-16(14)13-3-6-15-7-4-13/h1-2,9,13,15,17H,3-8,10H2.
What are the key properties of (1-piperidin-4-yl-2,3-dihydroindol-5-yl)methanol?
(1-piperidin-4-yl-2,3-dihydroindol-5-yl)methanol has a molecular weight of 232.33 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-piperidin-4-yl-2,3-dihydroindol-5-yl)methanol is sourced from PubChem (CID 121204209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).