phenyl(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol

C17H19NO — CID 15007046

IUPACphenyl(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol
SMILESOC(c1ccccc1)c1ccc2c(n1)CCCCC2
InChIInChI=1S/C17H19NO/c19-17(14-8-4-1-5-9-14)16-12-11-13-7-3-2-6-10-15(13)18-16/h1,4-5,8-9,11-12,17,19H,2-3,6-7,10H2
InChIKeyUQUIKDHEJILYIL-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.43
Rot. Bonds2

About phenyl(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol

phenyl(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol (PubChem CID 15007046) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is phenyl(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol.

Molecular Properties

Compound Namephenyl(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol
PubChem CID15007046
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Namephenyl(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol
SMILESOC(c1ccccc1)c1ccc2c(n1)CCCCC2
InChIInChI=1S/C17H19NO/c19-17(14-8-4-1-5-9-14)16-12-11-13-7-3-2-6-10-15(13)18-16/h1,4-5,8-9,11-12,17,19H,2-3,6-7,10H2
InChIKeyUQUIKDHEJILYIL-UHFFFAOYSA-N
XLogP3.43
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol?
The IUPAC name of phenyl(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol (CID 15007046) is phenyl(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol.
What is the SMILES notation for phenyl(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol?
The canonical SMILES for phenyl(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol is OC(c1ccccc1)c1ccc2c(n1)CCCCC2.
What is the InChIKey of phenyl(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol?
The InChIKey is UQUIKDHEJILYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c19-17(14-8-4-1-5-9-14)16-12-11-13-7-3-2-6-10-15(13)18-16/h1,4-5,8-9,11-12,17,19H,2-3,6-7,10H2.
What are the key properties of phenyl(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol?
phenyl(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol has a molecular weight of 253.35 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol is sourced from PubChem (CID 15007046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).