[3-(2,3,4,5-tetrahydropyridin-6-yl)phenyl]methanol

C12H15NO — CID 127027055

IUPAC[3-(2,3,4,5-tetrahydropyridin-6-yl)phenyl]methanol
SMILESOCc1cccc(C2=NCCCC2)c1
InChIInChI=1S/C12H15NO/c14-9-10-4-3-5-11(8-10)12-6-1-2-7-13-12/h3-5,8,14H,1-2,6-7,9H2
InChIKeyHDEHBUBBSWDVRP-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.15
Rot. Bonds2

About [3-(2,3,4,5-tetrahydropyridin-6-yl)phenyl]methanol

[3-(2,3,4,5-tetrahydropyridin-6-yl)phenyl]methanol (PubChem CID 127027055) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is [3-(2,3,4,5-tetrahydropyridin-6-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(2,3,4,5-tetrahydropyridin-6-yl)phenyl]methanol
PubChem CID127027055
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name[3-(2,3,4,5-tetrahydropyridin-6-yl)phenyl]methanol
SMILESOCc1cccc(C2=NCCCC2)c1
InChIInChI=1S/C12H15NO/c14-9-10-4-3-5-11(8-10)12-6-1-2-7-13-12/h3-5,8,14H,1-2,6-7,9H2
InChIKeyHDEHBUBBSWDVRP-UHFFFAOYSA-N
XLogP2.15
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2,3,4,5-tetrahydropyridin-6-yl)phenyl]methanol?
The IUPAC name of [3-(2,3,4,5-tetrahydropyridin-6-yl)phenyl]methanol (CID 127027055) is [3-(2,3,4,5-tetrahydropyridin-6-yl)phenyl]methanol.
What is the SMILES notation for [3-(2,3,4,5-tetrahydropyridin-6-yl)phenyl]methanol?
The canonical SMILES for [3-(2,3,4,5-tetrahydropyridin-6-yl)phenyl]methanol is OCc1cccc(C2=NCCCC2)c1.
What is the InChIKey of [3-(2,3,4,5-tetrahydropyridin-6-yl)phenyl]methanol?
The InChIKey is HDEHBUBBSWDVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-9-10-4-3-5-11(8-10)12-6-1-2-7-13-12/h3-5,8,14H,1-2,6-7,9H2.
What are the key properties of [3-(2,3,4,5-tetrahydropyridin-6-yl)phenyl]methanol?
[3-(2,3,4,5-tetrahydropyridin-6-yl)phenyl]methanol has a molecular weight of 189.26 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3,4,5-tetrahydropyridin-6-yl)phenyl]methanol is sourced from PubChem (CID 127027055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).