[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol

C13H17NO — CID 14955126

IUPAC[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol
SMILESCN1CC=C(c2ccccc2CO)CC1
InChIInChI=1S/C13H17NO/c1-14-8-6-11(7-9-14)13-5-3-2-4-12(13)10-15/h2-6,15H,7-10H2,1H3
InChIKeyQJKWRUMWDHFPCF-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.90
Rot. Bonds2

About [2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol

[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol (PubChem CID 14955126) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is [2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol
PubChem CID14955126
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol
SMILESCN1CC=C(c2ccccc2CO)CC1
InChIInChI=1S/C13H17NO/c1-14-8-6-11(7-9-14)13-5-3-2-4-12(13)10-15/h2-6,15H,7-10H2,1H3
InChIKeyQJKWRUMWDHFPCF-UHFFFAOYSA-N
XLogP1.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol?
The IUPAC name of [2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol (CID 14955126) is [2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol.
What is the SMILES notation for [2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol?
The canonical SMILES for [2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol is CN1CC=C(c2ccccc2CO)CC1.
What is the InChIKey of [2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol?
The InChIKey is QJKWRUMWDHFPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-14-8-6-11(7-9-14)13-5-3-2-4-12(13)10-15/h2-6,15H,7-10H2,1H3.
What are the key properties of [2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol?
[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol has a molecular weight of 203.28 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol is sourced from PubChem (CID 14955126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).