4-(cycloocten-1-yl)-1-azabicyclo[3.2.1]octan-4-ol

C15H25NO — CID 106651684

IUPAC4-(cycloocten-1-yl)-1-azabicyclo[3.2.1]octan-4-ol
SMILESOC1(C2=CCCCCCC2)CCN2CCC1C2
InChIInChI=1S/C15H25NO/c17-15(9-11-16-10-8-14(15)12-16)13-6-4-2-1-3-5-7-13/h6,14,17H,1-5,7-12H2
InChIKeyDXUIVEGWAQLZJC-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.72
Rot. Bonds1

About 4-(cycloocten-1-yl)-1-azabicyclo[3.2.1]octan-4-ol

4-(cycloocten-1-yl)-1-azabicyclo[3.2.1]octan-4-ol (PubChem CID 106651684) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-(cycloocten-1-yl)-1-azabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name4-(cycloocten-1-yl)-1-azabicyclo[3.2.1]octan-4-ol
PubChem CID106651684
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-(cycloocten-1-yl)-1-azabicyclo[3.2.1]octan-4-ol
SMILESOC1(C2=CCCCCCC2)CCN2CCC1C2
InChIInChI=1S/C15H25NO/c17-15(9-11-16-10-8-14(15)12-16)13-6-4-2-1-3-5-7-13/h6,14,17H,1-5,7-12H2
InChIKeyDXUIVEGWAQLZJC-UHFFFAOYSA-N
XLogP2.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Methylprop-1-enyl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365915
4-(Cycloocten-1-yl)-1-methylpiperidin-4-ol
CID 106650845
4-(Cyclohepten-1-yl)-1-methylpiperidin-4-ol
CID 106650847
4-(Cycloocten-1-yl)-1-ethylpiperidin-4-ol
CID 106650848
4-(Cyclohepten-1-yl)-1-ethylpiperidin-4-ol
CID 106650850
4-(Cycloocten-1-yl)-1-propylpiperidin-4-ol
CID 106650851
4-(Cycloocten-1-yl)-1-methylazepan-4-ol
CID 106651189
4-(Cyclohexen-1-yl)-1-methylazepan-4-ol
CID 106651190
4-(Cyclohepten-1-yl)-1-methylazepan-4-ol
CID 106651191
4-(Cyclohexen-1-yl)-1-ethylazepan-4-ol
CID 106651192
4-(Cycloocten-1-yl)-1-propylazepan-4-ol
CID 106651193
4-(Cyclohexen-1-yl)-1-propylazepan-4-ol
CID 106651194

Frequently Asked Questions

What is the IUPAC name of 4-(cycloocten-1-yl)-1-azabicyclo[3.2.1]octan-4-ol?
The IUPAC name of 4-(cycloocten-1-yl)-1-azabicyclo[3.2.1]octan-4-ol (CID 106651684) is 4-(cycloocten-1-yl)-1-azabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for 4-(cycloocten-1-yl)-1-azabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for 4-(cycloocten-1-yl)-1-azabicyclo[3.2.1]octan-4-ol is OC1(C2=CCCCCCC2)CCN2CCC1C2.
What is the InChIKey of 4-(cycloocten-1-yl)-1-azabicyclo[3.2.1]octan-4-ol?
The InChIKey is DXUIVEGWAQLZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c17-15(9-11-16-10-8-14(15)12-16)13-6-4-2-1-3-5-7-13/h6,14,17H,1-5,7-12H2.
What are the key properties of 4-(cycloocten-1-yl)-1-azabicyclo[3.2.1]octan-4-ol?
4-(cycloocten-1-yl)-1-azabicyclo[3.2.1]octan-4-ol has a molecular weight of 235.37 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloocten-1-yl)-1-azabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 106651684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).