11-(4-chlorophenyl)-4-methyl-3-oxa-9-azaspiro[5.5]undecane

C16H22ClNO — CID 79434196

IUPAC11-(4-chlorophenyl)-4-methyl-3-oxa-9-azaspiro[5.5]undecane
SMILESCC1CC2(CCNCC2c2ccc(Cl)cc2)CCO1
InChIInChI=1S/C16H22ClNO/c1-12-10-16(7-9-19-12)6-8-18-11-15(16)13-2-4-14(17)5-3-13/h2-5,12,15,18H,6-11H2,1H3
InChIKeyKHENZAYXWZQLLH-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.60
Rot. Bonds1

About 11-(4-chlorophenyl)-4-methyl-3-oxa-9-azaspiro[5.5]undecane

11-(4-chlorophenyl)-4-methyl-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 79434196) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 11-(4-chlorophenyl)-4-methyl-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name11-(4-chlorophenyl)-4-methyl-3-oxa-9-azaspiro[5.5]undecane
PubChem CID79434196
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name11-(4-chlorophenyl)-4-methyl-3-oxa-9-azaspiro[5.5]undecane
SMILESCC1CC2(CCNCC2c2ccc(Cl)cc2)CCO1
InChIInChI=1S/C16H22ClNO/c1-12-10-16(7-9-19-12)6-8-18-11-15(16)13-2-4-14(17)5-3-13/h2-5,12,15,18H,6-11H2,1H3
InChIKeyKHENZAYXWZQLLH-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-(4-chlorophenyl)-4-methyl-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 11-(4-chlorophenyl)-4-methyl-3-oxa-9-azaspiro[5.5]undecane (CID 79434196) is 11-(4-chlorophenyl)-4-methyl-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 11-(4-chlorophenyl)-4-methyl-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 11-(4-chlorophenyl)-4-methyl-3-oxa-9-azaspiro[5.5]undecane is CC1CC2(CCNCC2c2ccc(Cl)cc2)CCO1.
What is the InChIKey of 11-(4-chlorophenyl)-4-methyl-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is KHENZAYXWZQLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-12-10-16(7-9-19-12)6-8-18-11-15(16)13-2-4-14(17)5-3-13/h2-5,12,15,18H,6-11H2,1H3.
What are the key properties of 11-(4-chlorophenyl)-4-methyl-3-oxa-9-azaspiro[5.5]undecane?
11-(4-chlorophenyl)-4-methyl-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 279.81 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-chlorophenyl)-4-methyl-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 79434196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).