5-(4-chlorophenyl)-1-azaspiro[5.5]undecan-5-ol

C16H22ClNO — CID 19968421

IUPAC5-(4-chlorophenyl)-1-azaspiro[5.5]undecan-5-ol
SMILESOC1(c2ccc(Cl)cc2)CCCNC12CCCCC2
InChIInChI=1S/C16H22ClNO/c17-14-7-5-13(6-8-14)16(19)11-4-12-18-15(16)9-2-1-3-10-15/h5-8,18-19H,1-4,9-12H2
InChIKeyMIOKDJADFPYYIM-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.61
Rot. Bonds1

About 5-(4-chlorophenyl)-1-azaspiro[5.5]undecan-5-ol

5-(4-chlorophenyl)-1-azaspiro[5.5]undecan-5-ol (PubChem CID 19968421) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-azaspiro[5.5]undecan-5-ol.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-azaspiro[5.5]undecan-5-ol
PubChem CID19968421
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name5-(4-chlorophenyl)-1-azaspiro[5.5]undecan-5-ol
SMILESOC1(c2ccc(Cl)cc2)CCCNC12CCCCC2
InChIInChI=1S/C16H22ClNO/c17-14-7-5-13(6-8-14)16(19)11-4-12-18-15(16)9-2-1-3-10-15/h5-8,18-19H,1-4,9-12H2
InChIKeyMIOKDJADFPYYIM-UHFFFAOYSA-N
XLogP3.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-azaspiro[5.5]undecan-5-ol?
The IUPAC name of 5-(4-chlorophenyl)-1-azaspiro[5.5]undecan-5-ol (CID 19968421) is 5-(4-chlorophenyl)-1-azaspiro[5.5]undecan-5-ol.
What is the SMILES notation for 5-(4-chlorophenyl)-1-azaspiro[5.5]undecan-5-ol?
The canonical SMILES for 5-(4-chlorophenyl)-1-azaspiro[5.5]undecan-5-ol is OC1(c2ccc(Cl)cc2)CCCNC12CCCCC2.
What is the InChIKey of 5-(4-chlorophenyl)-1-azaspiro[5.5]undecan-5-ol?
The InChIKey is MIOKDJADFPYYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c17-14-7-5-13(6-8-14)16(19)11-4-12-18-15(16)9-2-1-3-10-15/h5-8,18-19H,1-4,9-12H2.
What are the key properties of 5-(4-chlorophenyl)-1-azaspiro[5.5]undecan-5-ol?
5-(4-chlorophenyl)-1-azaspiro[5.5]undecan-5-ol has a molecular weight of 279.81 g/mol, XLogP of 3.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-azaspiro[5.5]undecan-5-ol is sourced from PubChem (CID 19968421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).