1-(2,5-dimethylthiophen-3-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol

C19H22FNOS — CID 16673387

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol
SMILESCc1cc(C(O)CN2CC=C(c3ccc(F)cc3)CC2)c(C)s1
InChIInChI=1S/C19H22FNOS/c1-13-11-18(14(2)23-13)19(22)12-21-9-7-16(8-10-21)15-3-5-17(20)6-4-15/h3-7,11,19,22H,8-10,12H2,1-2H3
InChIKeySVUGMUSLHKKAKT-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.33
Rot. Bonds4

About 1-(2,5-dimethylthiophen-3-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol

1-(2,5-dimethylthiophen-3-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol (PubChem CID 16673387) has the molecular formula C19H22FNOS and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol
PubChem CID16673387
Molecular FormulaC19H22FNOS
Molecular Weight331.46 g/mol
Exact Mass331.14
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol
SMILESCc1cc(C(O)CN2CC=C(c3ccc(F)cc3)CC2)c(C)s1
InChIInChI=1S/C19H22FNOS/c1-13-11-18(14(2)23-13)19(22)12-21-9-7-16(8-10-21)15-3-5-17(20)6-4-15/h3-7,11,19,22H,8-10,12H2,1-2H3
InChIKeySVUGMUSLHKKAKT-UHFFFAOYSA-N
XLogP4.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol (CID 16673387) is 1-(2,5-dimethylthiophen-3-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol is Cc1cc(C(O)CN2CC=C(c3ccc(F)cc3)CC2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol?
The InChIKey is SVUGMUSLHKKAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNOS/c1-13-11-18(14(2)23-13)19(22)12-21-9-7-16(8-10-21)15-3-5-17(20)6-4-15/h3-7,11,19,22H,8-10,12H2,1-2H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol?
1-(2,5-dimethylthiophen-3-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol has a molecular weight of 331.46 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol is sourced from PubChem (CID 16673387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).