3-[3-(3,5-dichlorophenyl)-3-azaspiro[5.5]undecan-9-yl]propan-1-ol

C19H27Cl2NO — CID 139379230

IUPAC3-[3-(3,5-dichlorophenyl)-3-azaspiro[5.5]undecan-9-yl]propan-1-ol
SMILESOCCCC1CCC2(CC1)CCN(c1cc(Cl)cc(Cl)c1)CC2
InChIInChI=1S/C19H27Cl2NO/c20-16-12-17(21)14-18(13-16)22-9-7-19(8-10-22)5-3-15(4-6-19)2-1-11-23/h12-15,23H,1-11H2
InChIKeyBQRLUHXLBMNNPH-UHFFFAOYSA-N
MW356.34 g/mol
LogP5.54
Rot. Bonds4

About 3-[3-(3,5-dichlorophenyl)-3-azaspiro[5.5]undecan-9-yl]propan-1-ol

3-[3-(3,5-dichlorophenyl)-3-azaspiro[5.5]undecan-9-yl]propan-1-ol (PubChem CID 139379230) has the molecular formula C19H27Cl2NO and a molecular weight of 356.34 g/mol. Its IUPAC name is 3-[3-(3,5-dichlorophenyl)-3-azaspiro[5.5]undecan-9-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(3,5-dichlorophenyl)-3-azaspiro[5.5]undecan-9-yl]propan-1-ol
PubChem CID139379230
Molecular FormulaC19H27Cl2NO
Molecular Weight356.34 g/mol
Exact Mass355.15
IUPAC Name3-[3-(3,5-dichlorophenyl)-3-azaspiro[5.5]undecan-9-yl]propan-1-ol
SMILESOCCCC1CCC2(CC1)CCN(c1cc(Cl)cc(Cl)c1)CC2
InChIInChI=1S/C19H27Cl2NO/c20-16-12-17(21)14-18(13-16)22-9-7-19(8-10-22)5-3-15(4-6-19)2-1-11-23/h12-15,23H,1-11H2
InChIKeyBQRLUHXLBMNNPH-UHFFFAOYSA-N
XLogP5.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.34
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dichlorophenyl)-3-azaspiro[5.5]undecan-9-yl]propan-1-ol?
The IUPAC name of 3-[3-(3,5-dichlorophenyl)-3-azaspiro[5.5]undecan-9-yl]propan-1-ol (CID 139379230) is 3-[3-(3,5-dichlorophenyl)-3-azaspiro[5.5]undecan-9-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(3,5-dichlorophenyl)-3-azaspiro[5.5]undecan-9-yl]propan-1-ol?
The canonical SMILES for 3-[3-(3,5-dichlorophenyl)-3-azaspiro[5.5]undecan-9-yl]propan-1-ol is OCCCC1CCC2(CC1)CCN(c1cc(Cl)cc(Cl)c1)CC2.
What is the InChIKey of 3-[3-(3,5-dichlorophenyl)-3-azaspiro[5.5]undecan-9-yl]propan-1-ol?
The InChIKey is BQRLUHXLBMNNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27Cl2NO/c20-16-12-17(21)14-18(13-16)22-9-7-19(8-10-22)5-3-15(4-6-19)2-1-11-23/h12-15,23H,1-11H2.
What are the key properties of 3-[3-(3,5-dichlorophenyl)-3-azaspiro[5.5]undecan-9-yl]propan-1-ol?
3-[3-(3,5-dichlorophenyl)-3-azaspiro[5.5]undecan-9-yl]propan-1-ol has a molecular weight of 356.34 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dichlorophenyl)-3-azaspiro[5.5]undecan-9-yl]propan-1-ol is sourced from PubChem (CID 139379230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).