1-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)cycloheptane-1-carbonitrile

C15H24N2O — CID 105366259

IUPAC1-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)cycloheptane-1-carbonitrile
SMILESN#CC1(C2(O)CCN3CCC2C3)CCCCCC1
InChIInChI=1S/C15H24N2O/c16-12-14(6-3-1-2-4-7-14)15(18)8-10-17-9-5-13(15)11-17/h13,18H,1-11H2
InChIKeyGCSGCPQABNANFE-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.31
Rot. Bonds1

About 1-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)cycloheptane-1-carbonitrile

1-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)cycloheptane-1-carbonitrile (PubChem CID 105366259) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)cycloheptane-1-carbonitrile
PubChem CID105366259
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)cycloheptane-1-carbonitrile
SMILESN#CC1(C2(O)CCN3CCC2C3)CCCCCC1
InChIInChI=1S/C15H24N2O/c16-12-14(6-3-1-2-4-7-14)15(18)8-10-17-9-5-13(15)11-17/h13,18H,1-11H2
InChIKeyGCSGCPQABNANFE-UHFFFAOYSA-N
XLogP2.31
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cycloheptylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile
CID 105365366
1-(1-hydroxy-2,4-dimethylcyclohexyl)cycloheptane-1-carbonitrile
CID 79132636
1-(1-hydroxycycloheptyl)cyclopentane-1-carbonitrile
CID 79129448
1-(1-hydroxy-2,2-dimethylcyclohexyl)cycloheptane-1-carbonitrile
CID 79852706
4-(prop-2-enylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile
CID 105365372
1-(1-hydroxy-3-propan-2-ylcyclohexyl)cyclohexane-1-carbonitrile
CID 107450654
4-(6-oxaspiro[4.5]decan-9-yl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365735
1-(1-hydroxy-2,2-dimethylcyclohexyl)cyclobutane-1-carbonitrile
CID 79852266
1-(1-hydroxy-2,5-dimethylcyclohexyl)cyclobutane-1-carbonitrile
CID 79131972
4-(3,5-dimethylcyclohexyl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365876
4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105366105
methyl 4-hydroxy-1-azabicyclo[3.2.1]octane-4-carboxylate
CID 105441572

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)cycloheptane-1-carbonitrile?
The IUPAC name of 1-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)cycloheptane-1-carbonitrile (CID 105366259) is 1-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)cycloheptane-1-carbonitrile.
What is the SMILES notation for 1-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)cycloheptane-1-carbonitrile?
The canonical SMILES for 1-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)cycloheptane-1-carbonitrile is N#CC1(C2(O)CCN3CCC2C3)CCCCCC1.
What is the InChIKey of 1-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)cycloheptane-1-carbonitrile?
The InChIKey is GCSGCPQABNANFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c16-12-14(6-3-1-2-4-7-14)15(18)8-10-17-9-5-13(15)11-17/h13,18H,1-11H2.
What are the key properties of 1-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)cycloheptane-1-carbonitrile?
1-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)cycloheptane-1-carbonitrile has a molecular weight of 248.37 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)cycloheptane-1-carbonitrile is sourced from PubChem (CID 105366259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).