1-(3-azaspiro[5.5]undecan-3-yl)-3-chloropropan-2-ol

C13H24ClNO — CID 112561594

IUPAC1-(3-azaspiro[5.5]undecan-3-yl)-3-chloropropan-2-ol
SMILESOC(CCl)CN1CCC2(CCCCC2)CC1
InChIInChI=1S/C13H24ClNO/c14-10-12(16)11-15-8-6-13(7-9-15)4-2-1-3-5-13/h12,16H,1-11H2
InChIKeyAZCRWUZHJRPWCR-UHFFFAOYSA-N
MW245.79 g/mol
LogP2.63
Rot. Bonds3

About 1-(3-azaspiro[5.5]undecan-3-yl)-3-chloropropan-2-ol

1-(3-azaspiro[5.5]undecan-3-yl)-3-chloropropan-2-ol (PubChem CID 112561594) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is 1-(3-azaspiro[5.5]undecan-3-yl)-3-chloropropan-2-ol.

Molecular Properties

Compound Name1-(3-azaspiro[5.5]undecan-3-yl)-3-chloropropan-2-ol
PubChem CID112561594
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC Name1-(3-azaspiro[5.5]undecan-3-yl)-3-chloropropan-2-ol
SMILESOC(CCl)CN1CCC2(CCCCC2)CC1
InChIInChI=1S/C13H24ClNO/c14-10-12(16)11-15-8-6-13(7-9-15)4-2-1-3-5-13/h12,16H,1-11H2
InChIKeyAZCRWUZHJRPWCR-UHFFFAOYSA-N
XLogP2.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-azaspiro[5.5]undecan-3-yl)-3-chloropropan-2-ol?
The IUPAC name of 1-(3-azaspiro[5.5]undecan-3-yl)-3-chloropropan-2-ol (CID 112561594) is 1-(3-azaspiro[5.5]undecan-3-yl)-3-chloropropan-2-ol.
What is the SMILES notation for 1-(3-azaspiro[5.5]undecan-3-yl)-3-chloropropan-2-ol?
The canonical SMILES for 1-(3-azaspiro[5.5]undecan-3-yl)-3-chloropropan-2-ol is OC(CCl)CN1CCC2(CCCCC2)CC1.
What is the InChIKey of 1-(3-azaspiro[5.5]undecan-3-yl)-3-chloropropan-2-ol?
The InChIKey is AZCRWUZHJRPWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c14-10-12(16)11-15-8-6-13(7-9-15)4-2-1-3-5-13/h12,16H,1-11H2.
What are the key properties of 1-(3-azaspiro[5.5]undecan-3-yl)-3-chloropropan-2-ol?
1-(3-azaspiro[5.5]undecan-3-yl)-3-chloropropan-2-ol has a molecular weight of 245.79 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azaspiro[5.5]undecan-3-yl)-3-chloropropan-2-ol is sourced from PubChem (CID 112561594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).