2,2-dimethyl-1-piperidin-4-yl-4,5,6,7-tetrahydro-3H-inden-1-ol

C16H27NO — CID 143203271

IUPAC2,2-dimethyl-1-piperidin-4-yl-4,5,6,7-tetrahydro-3H-inden-1-ol
SMILESCC1(C)CC2=C(CCCC2)C1(O)C1CCNCC1
InChIInChI=1S/C16H27NO/c1-15(2)11-12-5-3-4-6-14(12)16(15,18)13-7-9-17-10-8-13/h13,17-18H,3-11H2,1-2H3
InChIKeyAJATXHBOJPTSBH-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.02
Rot. Bonds1

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

2,2-dimethyl-1-piperidin-4-yl-4,5,6,7-tetrahydro-3H-inden-1-ol (PubChem CID 143203271) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2,2-dimethyl-1-piperidin-4-yl-4,5,6,7-tetrahydro-3H-inden-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-piperidin-4-yl-4,5,6,7-tetrahydro-3H-inden-1-ol
PubChem CID143203271
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2,2-dimethyl-1-piperidin-4-yl-4,5,6,7-tetrahydro-3H-inden-1-ol
SMILESCC1(C)CC2=C(CCCC2)C1(O)C1CCNCC1
InChIInChI=1S/C16H27NO/c1-15(2)11-12-5-3-4-6-14(12)16(15,18)13-7-9-17-10-8-13/h13,17-18H,3-11H2,1-2H3
InChIKeyAJATXHBOJPTSBH-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-1-piperidin-4-yl-4,5,6,7-tetrahydro-3H-inden-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

2,2-dimethyl-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-3H-inden-1-ol
CID 58951031
2,2,6,6-Tetramethyl-1-(1-methylpiperidin-4-yl)-3,4,5,7-tetrahydroinden-1-ol
CID 58951127
4-(Cyclohexen-1-yl)-3-methylpiperidin-4-ol
CID 106651645
4-(Cyclohexen-1-yl)-3-ethylpiperidin-4-ol
CID 106651647

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-piperidin-4-yl-4,5,6,7-tetrahydro-3H-inden-1-ol?
The IUPAC name of 2,2-dimethyl-1-piperidin-4-yl-4,5,6,7-tetrahydro-3H-inden-1-ol (CID 143203271) is 2,2-dimethyl-1-piperidin-4-yl-4,5,6,7-tetrahydro-3H-inden-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-piperidin-4-yl-4,5,6,7-tetrahydro-3H-inden-1-ol?
The canonical SMILES for 2,2-dimethyl-1-piperidin-4-yl-4,5,6,7-tetrahydro-3H-inden-1-ol is CC1(C)CC2=C(CCCC2)C1(O)C1CCNCC1.
What is the InChIKey of 2,2-dimethyl-1-piperidin-4-yl-4,5,6,7-tetrahydro-3H-inden-1-ol?
The InChIKey is AJATXHBOJPTSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-15(2)11-12-5-3-4-6-14(12)16(15,18)13-7-9-17-10-8-13/h13,17-18H,3-11H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-piperidin-4-yl-4,5,6,7-tetrahydro-3H-inden-1-ol?
2,2-dimethyl-1-piperidin-4-yl-4,5,6,7-tetrahydro-3H-inden-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-piperidin-4-yl-4,5,6,7-tetrahydro-3H-inden-1-ol is sourced from PubChem (CID 143203271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).