1-[(1-methylpiperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol

C15H22N2O — CID 61210483

IUPAC1-[(1-methylpiperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESCN1CCCC(NC2CCc3c(O)cccc32)C1
InChIInChI=1S/C15H22N2O/c1-17-9-3-4-11(10-17)16-14-8-7-13-12(14)5-2-6-15(13)18/h2,5-6,11,14,16,18H,3-4,7-10H2,1H3
InChIKeyCSTMDGPGTGIPBM-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.06
Rot. Bonds2

About 1-[(1-methylpiperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol

1-[(1-methylpiperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 61210483) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[(1-methylpiperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol
PubChem CID61210483
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[(1-methylpiperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESCN1CCCC(NC2CCc3c(O)cccc32)C1
InChIInChI=1S/C15H22N2O/c1-17-9-3-4-11(10-17)16-14-8-7-13-12(14)5-2-6-15(13)18/h2,5-6,11,14,16,18H,3-4,7-10H2,1H3
InChIKeyCSTMDGPGTGIPBM-UHFFFAOYSA-N
XLogP2.06
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1-methylpiperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[(1-methylpiperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol (CID 61210483) is 1-[(1-methylpiperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[(1-methylpiperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[(1-methylpiperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol is CN1CCCC(NC2CCc3c(O)cccc32)C1.
What is the InChIKey of 1-[(1-methylpiperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is CSTMDGPGTGIPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-17-9-3-4-11(10-17)16-14-8-7-13-12(14)5-2-6-15(13)18/h2,5-6,11,14,16,18H,3-4,7-10H2,1H3.
What are the key properties of 1-[(1-methylpiperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol?
1-[(1-methylpiperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 246.35 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 61210483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).