1-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-4-methylcyclohexan-1-ol

C15H27NO3 — CID 75434952

IUPAC1-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CN2CCCC3(C2)OCCO3)CC1
InChIInChI=1S/C15H27NO3/c1-13-3-6-14(17,7-4-13)11-16-8-2-5-15(12-16)18-9-10-19-15/h13,17H,2-12H2,1H3
InChIKeyLKQGEVQUBKWCPI-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.77
Rot. Bonds2

About 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-4-methylcyclohexan-1-ol

1-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-4-methylcyclohexan-1-ol (PubChem CID 75434952) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-4-methylcyclohexan-1-ol
PubChem CID75434952
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CN2CCCC3(C2)OCCO3)CC1
InChIInChI=1S/C15H27NO3/c1-13-3-6-14(17,7-4-13)11-16-8-2-5-15(12-16)18-9-10-19-15/h13,17H,2-12H2,1H3
InChIKeyLKQGEVQUBKWCPI-UHFFFAOYSA-N
XLogP1.77
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-4-methylcyclohexan-1-ol?
The IUPAC name of 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-4-methylcyclohexan-1-ol (CID 75434952) is 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-4-methylcyclohexan-1-ol is CC1CCC(O)(CN2CCCC3(C2)OCCO3)CC1.
What is the InChIKey of 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-4-methylcyclohexan-1-ol?
The InChIKey is LKQGEVQUBKWCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-13-3-6-14(17,7-4-13)11-16-8-2-5-15(12-16)18-9-10-19-15/h13,17H,2-12H2,1H3.
What are the key properties of 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-4-methylcyclohexan-1-ol?
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-4-methylcyclohexan-1-ol has a molecular weight of 269.38 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-4-methylcyclohexan-1-ol is sourced from PubChem (CID 75434952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).