3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-2-ylpropan-1-ol

C19H23NOS — CID 66572277

IUPAC3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-2-ylpropan-1-ol
SMILESOC(CCN1CC=C(Cc2ccccc2)CC1)c1cccs1
InChIInChI=1S/C19H23NOS/c21-18(19-7-4-14-22-19)10-13-20-11-8-17(9-12-20)15-16-5-2-1-3-6-16/h1-8,14,18,21H,9-13,15H2
InChIKeyJWEVRDWOVZZPKU-UHFFFAOYSA-N
MW313.47 g/mol
LogP4.05
Rot. Bonds6

About 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-2-ylpropan-1-ol

3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-2-ylpropan-1-ol (PubChem CID 66572277) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-2-ylpropan-1-ol
PubChem CID66572277
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-2-ylpropan-1-ol
SMILESOC(CCN1CC=C(Cc2ccccc2)CC1)c1cccs1
InChIInChI=1S/C19H23NOS/c21-18(19-7-4-14-22-19)10-13-20-11-8-17(9-12-20)15-16-5-2-1-3-6-16/h1-8,14,18,21H,9-13,15H2
InChIKeyJWEVRDWOVZZPKU-UHFFFAOYSA-N
XLogP4.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-2-ylpropan-1-ol (CID 66572277) is 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-2-ylpropan-1-ol is OC(CCN1CC=C(Cc2ccccc2)CC1)c1cccs1.
What is the InChIKey of 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-2-ylpropan-1-ol?
The InChIKey is JWEVRDWOVZZPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c21-18(19-7-4-14-22-19)10-13-20-11-8-17(9-12-20)15-16-5-2-1-3-6-16/h1-8,14,18,21H,9-13,15H2.
What are the key properties of 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-2-ylpropan-1-ol?
3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-2-ylpropan-1-ol has a molecular weight of 313.47 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 66572277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).