2-(4,4-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-ol

C16H23NO — CID 62930073

IUPAC2-(4,4-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-ol
SMILESCC1(C)CCN(C2Cc3ccccc3C2O)CC1
InChIInChI=1S/C16H23NO/c1-16(2)7-9-17(10-8-16)14-11-12-5-3-4-6-13(12)15(14)18/h3-6,14-15,18H,7-11H2,1-2H3
InChIKeyYWOPXPHGRWSXFH-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.77
Rot. Bonds1

About 2-(4,4-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-ol

2-(4,4-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 62930073) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-ol
PubChem CID62930073
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-(4,4-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-ol
SMILESCC1(C)CCN(C2Cc3ccccc3C2O)CC1
InChIInChI=1S/C16H23NO/c1-16(2)7-9-17(10-8-16)14-11-12-5-3-4-6-13(12)15(14)18/h3-6,14-15,18H,7-11H2,1-2H3
InChIKeyYWOPXPHGRWSXFH-UHFFFAOYSA-N
XLogP2.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-ol (CID 62930073) is 2-(4,4-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 2-(4,4-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 2-(4,4-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-ol is CC1(C)CCN(C2Cc3ccccc3C2O)CC1.
What is the InChIKey of 2-(4,4-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is YWOPXPHGRWSXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-16(2)7-9-17(10-8-16)14-11-12-5-3-4-6-13(12)15(14)18/h3-6,14-15,18H,7-11H2,1-2H3.
What are the key properties of 2-(4,4-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-ol?
2-(4,4-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 245.37 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 62930073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).