4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol

C14H25NO2 — CID 106131726

IUPAC4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol
SMILESOC1CCC(CN2CC3(CCOCC3)C2)CC1
InChIInChI=1S/C14H25NO2/c16-13-3-1-12(2-4-13)9-15-10-14(11-15)5-7-17-8-6-14/h12-13,16H,1-11H2
InChIKeyYAHKTLVVFFWKHC-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.65
Rot. Bonds2

About 4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol

4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol (PubChem CID 106131726) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol
PubChem CID106131726
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol
SMILESOC1CCC(CN2CC3(CCOCC3)C2)CC1
InChIInChI=1S/C14H25NO2/c16-13-3-1-12(2-4-13)9-15-10-14(11-15)5-7-17-8-6-14/h12-13,16H,1-11H2
InChIKeyYAHKTLVVFFWKHC-UHFFFAOYSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol (CID 106131726) is 4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol is OC1CCC(CN2CC3(CCOCC3)C2)CC1.
What is the InChIKey of 4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol?
The InChIKey is YAHKTLVVFFWKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c16-13-3-1-12(2-4-13)9-15-10-14(11-15)5-7-17-8-6-14/h12-13,16H,1-11H2.
What are the key properties of 4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol?
4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol has a molecular weight of 239.36 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 106131726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).