2-(4-cyclopropylphenyl)-8-(propoxymethyl)-2-azaspiro[4.5]decan-8-ol

C22H33NO2 — CID 66577866

IUPAC2-(4-cyclopropylphenyl)-8-(propoxymethyl)-2-azaspiro[4.5]decan-8-ol
SMILESCCCOCC1(O)CCC2(CCN(c3ccc(C4CC4)cc3)C2)CC1
InChIInChI=1S/C22H33NO2/c1-2-15-25-17-22(24)11-9-21(10-12-22)13-14-23(16-21)20-7-5-19(6-8-20)18-3-4-18/h5-8,18,24H,2-4,9-17H2,1H3
InChIKeyKOUOIQQTPUWRBW-UHFFFAOYSA-N
MW343.51 g/mol
LogP4.49
Rot. Bonds6

About 2-(4-cyclopropylphenyl)-8-(propoxymethyl)-2-azaspiro[4.5]decan-8-ol

2-(4-cyclopropylphenyl)-8-(propoxymethyl)-2-azaspiro[4.5]decan-8-ol (PubChem CID 66577866) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-8-(propoxymethyl)-2-azaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-8-(propoxymethyl)-2-azaspiro[4.5]decan-8-ol
PubChem CID66577866
Molecular FormulaC22H33NO2
Molecular Weight343.51 g/mol
Exact Mass343.25
IUPAC Name2-(4-cyclopropylphenyl)-8-(propoxymethyl)-2-azaspiro[4.5]decan-8-ol
SMILESCCCOCC1(O)CCC2(CCN(c3ccc(C4CC4)cc3)C2)CC1
InChIInChI=1S/C22H33NO2/c1-2-15-25-17-22(24)11-9-21(10-12-22)13-14-23(16-21)20-7-5-19(6-8-20)18-3-4-18/h5-8,18,24H,2-4,9-17H2,1H3
InChIKeyKOUOIQQTPUWRBW-UHFFFAOYSA-N
XLogP4.49
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-8-(propoxymethyl)-2-azaspiro[4.5]decan-8-ol?
The IUPAC name of 2-(4-cyclopropylphenyl)-8-(propoxymethyl)-2-azaspiro[4.5]decan-8-ol (CID 66577866) is 2-(4-cyclopropylphenyl)-8-(propoxymethyl)-2-azaspiro[4.5]decan-8-ol.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-8-(propoxymethyl)-2-azaspiro[4.5]decan-8-ol?
The canonical SMILES for 2-(4-cyclopropylphenyl)-8-(propoxymethyl)-2-azaspiro[4.5]decan-8-ol is CCCOCC1(O)CCC2(CCN(c3ccc(C4CC4)cc3)C2)CC1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-8-(propoxymethyl)-2-azaspiro[4.5]decan-8-ol?
The InChIKey is KOUOIQQTPUWRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO2/c1-2-15-25-17-22(24)11-9-21(10-12-22)13-14-23(16-21)20-7-5-19(6-8-20)18-3-4-18/h5-8,18,24H,2-4,9-17H2,1H3.
What are the key properties of 2-(4-cyclopropylphenyl)-8-(propoxymethyl)-2-azaspiro[4.5]decan-8-ol?
2-(4-cyclopropylphenyl)-8-(propoxymethyl)-2-azaspiro[4.5]decan-8-ol has a molecular weight of 343.51 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-8-(propoxymethyl)-2-azaspiro[4.5]decan-8-ol is sourced from PubChem (CID 66577866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).