2,2-dimethyl-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-3H-inden-1-ol

C17H29NO — CID 58951031

IUPAC2,2-dimethyl-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-3H-inden-1-ol
SMILESCN1CCC(C2(O)C3=C(CCCC3)CC2(C)C)CC1
InChIInChI=1S/C17H29NO/c1-16(2)12-13-6-4-5-7-15(13)17(16,19)14-8-10-18(3)11-9-14/h14,19H,4-12H2,1-3H3
InChIKeyBEVIZNGYTLFTLC-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.36
Rot. Bonds1

About 2,2-dimethyl-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-3H-inden-1-ol

2,2-dimethyl-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-3H-inden-1-ol (PubChem CID 58951031) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-3H-inden-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-3H-inden-1-ol
PubChem CID58951031
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2,2-dimethyl-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-3H-inden-1-ol
SMILESCN1CCC(C2(O)C3=C(CCCC3)CC2(C)C)CC1
InChIInChI=1S/C17H29NO/c1-16(2)12-13-6-4-5-7-15(13)17(16,19)14-8-10-18(3)11-9-14/h14,19H,4-12H2,1-3H3
InChIKeyBEVIZNGYTLFTLC-UHFFFAOYSA-N
XLogP3.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-3H-inden-1-ol?
The IUPAC name of 2,2-dimethyl-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-3H-inden-1-ol (CID 58951031) is 2,2-dimethyl-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-3H-inden-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-3H-inden-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-3H-inden-1-ol is CN1CCC(C2(O)C3=C(CCCC3)CC2(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-3H-inden-1-ol?
The InChIKey is BEVIZNGYTLFTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-16(2)12-13-6-4-5-7-15(13)17(16,19)14-8-10-18(3)11-9-14/h14,19H,4-12H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-3H-inden-1-ol?
2,2-dimethyl-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-3H-inden-1-ol has a molecular weight of 263.42 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-3H-inden-1-ol is sourced from PubChem (CID 58951031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).