3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)propan-1-ol

C20H21ClFNO — CID 23362144

IUPAC3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)propan-1-ol
SMILESOC(CCN1CC=C(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H21ClFNO/c21-18-5-1-15(2-6-18)16-9-12-23(13-10-16)14-11-20(24)17-3-7-19(22)8-4-17/h1-9,20,24H,10-14H2
InChIKeyUSCCOSSRLMNTNE-UHFFFAOYSA-N
MW345.85 g/mol
LogP4.69
Rot. Bonds5

About 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)propan-1-ol

3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)propan-1-ol (PubChem CID 23362144) has the molecular formula C20H21ClFNO and a molecular weight of 345.85 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)propan-1-ol
PubChem CID23362144
Molecular FormulaC20H21ClFNO
Molecular Weight345.85 g/mol
Exact Mass345.13
IUPAC Name3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)propan-1-ol
SMILESOC(CCN1CC=C(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H21ClFNO/c21-18-5-1-15(2-6-18)16-9-12-23(13-10-16)14-11-20(24)17-3-7-19(22)8-4-17/h1-9,20,24H,10-14H2
InChIKeyUSCCOSSRLMNTNE-UHFFFAOYSA-N
XLogP4.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[4-(4-fluorophenyl)phenyl]propan-1-ol
CID 3072614
1-[4-[chloro(phenyl)methyl]phenyl]-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
CID 67893663
1-[3-(4-chlorophenyl)-3-hydroxypropyl]piperidin-4-one
CID 82073439
3-(3,6-dihydro-2H-pyridin-1-yl)-1-(4-fluorophenyl)propan-1-ol
CID 140969182
1-(2,4-dichlorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
CID 54565754
3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2,4-dimethoxyphenyl)propan-1-ol
CID 23362116
1-(4-fluorophenyl)-3-[4-[4-nitro-2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol;hydrochloride
CID 86298988
1-(3-ethylheptyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 143598586
1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol
CID 82073403
1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol
CID 62644931
4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-5-(4-fluorophenyl)-1,3-dioxol-2-one;hydrochloride
CID 70593621
3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-fluoro-2,4-dihydro-1H-quinazoline
CID 70024806

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)propan-1-ol (CID 23362144) is 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)propan-1-ol is OC(CCN1CC=C(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)propan-1-ol?
The InChIKey is USCCOSSRLMNTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFNO/c21-18-5-1-15(2-6-18)16-9-12-23(13-10-16)14-11-20(24)17-3-7-19(22)8-4-17/h1-9,20,24H,10-14H2.
What are the key properties of 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)propan-1-ol?
3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)propan-1-ol has a molecular weight of 345.85 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 23362144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).