2-methyl-4-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)butan-2-ol

C19H29NO — CID 146100093

IUPAC2-methyl-4-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)butan-2-ol
SMILESCC(C)(O)CCN1CC2(CCCCC2)C1c1ccccc1
InChIInChI=1S/C19H29NO/c1-18(2,21)13-14-20-15-19(11-7-4-8-12-19)17(20)16-9-5-3-6-10-16/h3,5-6,9-10,17,21H,4,7-8,11-15H2,1-2H3
InChIKeyRGARBQGUALAHTM-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.15
Rot. Bonds4

About 2-methyl-4-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)butan-2-ol

2-methyl-4-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)butan-2-ol (PubChem CID 146100093) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-methyl-4-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)butan-2-ol
PubChem CID146100093
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-methyl-4-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)butan-2-ol
SMILESCC(C)(O)CCN1CC2(CCCCC2)C1c1ccccc1
InChIInChI=1S/C19H29NO/c1-18(2,21)13-14-20-15-19(11-7-4-8-12-19)17(20)16-9-5-3-6-10-16/h3,5-6,9-10,17,21H,4,7-8,11-15H2,1-2H3
InChIKeyRGARBQGUALAHTM-UHFFFAOYSA-N
XLogP4.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)butan-2-ol?
The IUPAC name of 2-methyl-4-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)butan-2-ol (CID 146100093) is 2-methyl-4-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)butan-2-ol?
The canonical SMILES for 2-methyl-4-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)butan-2-ol is CC(C)(O)CCN1CC2(CCCCC2)C1c1ccccc1.
What is the InChIKey of 2-methyl-4-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)butan-2-ol?
The InChIKey is RGARBQGUALAHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-18(2,21)13-14-20-15-19(11-7-4-8-12-19)17(20)16-9-5-3-6-10-16/h3,5-6,9-10,17,21H,4,7-8,11-15H2,1-2H3.
What are the key properties of 2-methyl-4-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)butan-2-ol?
2-methyl-4-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)butan-2-ol has a molecular weight of 287.45 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-phenyl-2-azaspiro[3.5]nonan-2-yl)butan-2-ol is sourced from PubChem (CID 146100093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).