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

C17H19NOS — CID 23947046

IUPAC[4-(1-methyl-6-thiophen-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol
SMILESCN1CCC(c2ccc(CO)cc2)=CC1c1cccs1
InChIInChI=1S/C17H19NOS/c1-18-9-8-15(11-16(18)17-3-2-10-20-17)14-6-4-13(12-19)5-7-14/h2-7,10-11,16,19H,8-9,12H2,1H3
InChIKeyNOGBUUUVTGCEKL-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.70
Rot. Bonds3

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

[4-(1-methyl-6-thiophen-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol (PubChem CID 23947046) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is [4-(1-methyl-6-thiophen-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(1-methyl-6-thiophen-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol
PubChem CID23947046
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name[4-(1-methyl-6-thiophen-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol
SMILESCN1CCC(c2ccc(CO)cc2)=CC1c1cccs1
InChIInChI=1S/C17H19NOS/c1-18-9-8-15(11-16(18)17-3-2-10-20-17)14-6-4-13(12-19)5-7-14/h2-7,10-11,16,19H,8-9,12H2,1H3
InChIKeyNOGBUUUVTGCEKL-UHFFFAOYSA-N
XLogP3.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1-methyl-6-thiophen-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol?
The IUPAC name of [4-(1-methyl-6-thiophen-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol (CID 23947046) is [4-(1-methyl-6-thiophen-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol.
What is the SMILES notation for [4-(1-methyl-6-thiophen-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol?
The canonical SMILES for [4-(1-methyl-6-thiophen-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol is CN1CCC(c2ccc(CO)cc2)=CC1c1cccs1.
What is the InChIKey of [4-(1-methyl-6-thiophen-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol?
The InChIKey is NOGBUUUVTGCEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-18-9-8-15(11-16(18)17-3-2-10-20-17)14-6-4-13(12-19)5-7-14/h2-7,10-11,16,19H,8-9,12H2,1H3.
What are the key properties of [4-(1-methyl-6-thiophen-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol?
[4-(1-methyl-6-thiophen-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol has a molecular weight of 285.41 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methyl-6-thiophen-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methanol is sourced from PubChem (CID 23947046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).