4-amino-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol

C18H28N2O2 — CID 58951205

IUPAC4-amino-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCOc1ccc(N)c2c1C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C18H28N2O2/c1-17(2)11-13-14(19)5-6-15(22-4)16(13)18(17,21)12-7-9-20(3)10-8-12/h5-6,12,21H,7-11,19H2,1-4H3
InChIKeyTXPNLHGLANTPMI-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.39
Rot. Bonds2

About 4-amino-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol

4-amino-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (PubChem CID 58951205) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 4-amino-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.

Molecular Properties

Compound Name4-amino-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
PubChem CID58951205
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name4-amino-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCOc1ccc(N)c2c1C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C18H28N2O2/c1-17(2)11-13-14(19)5-6-15(22-4)16(13)18(17,21)12-7-9-20(3)10-8-12/h5-6,12,21H,7-11,19H2,1-4H3
InChIKeyTXPNLHGLANTPMI-UHFFFAOYSA-N
XLogP2.39
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The IUPAC name of 4-amino-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (CID 58951205) is 4-amino-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.
What is the SMILES notation for 4-amino-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The canonical SMILES for 4-amino-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is COc1ccc(N)c2c1C(O)(C1CCN(C)CC1)C(C)(C)C2.
What is the InChIKey of 4-amino-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The InChIKey is TXPNLHGLANTPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-17(2)11-13-14(19)5-6-15(22-4)16(13)18(17,21)12-7-9-20(3)10-8-12/h5-6,12,21H,7-11,19H2,1-4H3.
What are the key properties of 4-amino-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
4-amino-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol has a molecular weight of 304.43 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is sourced from PubChem (CID 58951205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).