3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol

C16H22FNO — CID 171962325

IUPAC3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCc1ccc(F)cc1CC1(O)CC2CCCC(C1)N2
InChIInChI=1S/C16H22FNO/c1-11-5-6-13(17)7-12(11)8-16(19)9-14-3-2-4-15(10-16)18-14/h5-7,14-15,18-19H,2-4,8-10H2,1H3
InChIKeyNIECPFPVXKSTJZ-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.71
Rot. Bonds2

About 3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol

3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171962325) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171962325
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCc1ccc(F)cc1CC1(O)CC2CCCC(C1)N2
InChIInChI=1S/C16H22FNO/c1-11-5-6-13(17)7-12(11)8-16(19)9-14-3-2-4-15(10-16)18-14/h5-7,14-15,18-19H,2-4,8-10H2,1H3
InChIKeyNIECPFPVXKSTJZ-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol (CID 171962325) is 3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol is Cc1ccc(F)cc1CC1(O)CC2CCCC(C1)N2.
What is the InChIKey of 3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is NIECPFPVXKSTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-11-5-6-13(17)7-12(11)8-16(19)9-14-3-2-4-15(10-16)18-14/h5-7,14-15,18-19H,2-4,8-10H2,1H3.
What are the key properties of 3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol?
3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 263.36 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171962325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).