1,7-dimethyl-3-[methyl(piperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol

C17H26N2O — CID 63644211

IUPAC1,7-dimethyl-3-[methyl(piperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2N(C)C1CCCNC1
InChIInChI=1S/C17H26N2O/c1-11-6-7-15(20)17-14(9-12(2)16(11)17)19(3)13-5-4-8-18-10-13/h6-7,12-14,18,20H,4-5,8-10H2,1-3H3
InChIKeyKNLWTKAIBLTBDY-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.93
Rot. Bonds2

About 1,7-dimethyl-3-[methyl(piperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol

1,7-dimethyl-3-[methyl(piperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 63644211) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1,7-dimethyl-3-[methyl(piperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1,7-dimethyl-3-[methyl(piperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol
PubChem CID63644211
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1,7-dimethyl-3-[methyl(piperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2N(C)C1CCCNC1
InChIInChI=1S/C17H26N2O/c1-11-6-7-15(20)17-14(9-12(2)16(11)17)19(3)13-5-4-8-18-10-13/h6-7,12-14,18,20H,4-5,8-10H2,1-3H3
InChIKeyKNLWTKAIBLTBDY-UHFFFAOYSA-N
XLogP2.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-3-[methyl(piperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1,7-dimethyl-3-[methyl(piperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol (CID 63644211) is 1,7-dimethyl-3-[methyl(piperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1,7-dimethyl-3-[methyl(piperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1,7-dimethyl-3-[methyl(piperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol is Cc1ccc(O)c2c1C(C)CC2N(C)C1CCCNC1.
What is the InChIKey of 1,7-dimethyl-3-[methyl(piperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is KNLWTKAIBLTBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-11-6-7-15(20)17-14(9-12(2)16(11)17)19(3)13-5-4-8-18-10-13/h6-7,12-14,18,20H,4-5,8-10H2,1-3H3.
What are the key properties of 1,7-dimethyl-3-[methyl(piperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol?
1,7-dimethyl-3-[methyl(piperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 274.41 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-3-[methyl(piperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 63644211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).