[1-benzyl-4-(4-fluorophenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol

C19H20FNO — CID 22320564

IUPAC[1-benzyl-4-(4-fluorophenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol
SMILESOCC1CN(Cc2ccccc2)C=CC1c1ccc(F)cc1
InChIInChI=1S/C19H20FNO/c20-18-8-6-16(7-9-18)19-10-11-21(13-17(19)14-22)12-15-4-2-1-3-5-15/h1-11,17,19,22H,12-14H2
InChIKeySDEMCQKGXWPHPE-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.55
Rot. Bonds4

About [1-benzyl-4-(4-fluorophenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol

[1-benzyl-4-(4-fluorophenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol (PubChem CID 22320564) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is [1-benzyl-4-(4-fluorophenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-4-(4-fluorophenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol
PubChem CID22320564
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name[1-benzyl-4-(4-fluorophenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol
SMILESOCC1CN(Cc2ccccc2)C=CC1c1ccc(F)cc1
InChIInChI=1S/C19H20FNO/c20-18-8-6-16(7-9-18)19-10-11-21(13-17(19)14-22)12-15-4-2-1-3-5-15/h1-11,17,19,22H,12-14H2
InChIKeySDEMCQKGXWPHPE-UHFFFAOYSA-N
XLogP3.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-benzyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]methanol
CID 18723469
1-benzyl-3-methyl-2,3-dihydropyrrole
CID 152546116
1-benzyl-4-(4-fluorophenyl)-4,5-dihydrotriazole
CID 123979130
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-fluorobenzenesulfonamide
CID 98853722
(1-benzyl-4-methylpyrrolidin-3-yl)methanol
CID 18713552
(1-benzyl-3-methylpiperidin-4-yl)methanol
CID 130927897
(2S,5R)-1-benzyl-2-(4-fluorophenyl)-5-methylpiperazine
CID 169115881
(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
CID 11579361
(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
1-benzyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 73012385
[(2S)-1-amino-4-benzylpiperazin-2-yl]methanol
CID 71157233

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-4-(4-fluorophenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol?
The IUPAC name of [1-benzyl-4-(4-fluorophenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol (CID 22320564) is [1-benzyl-4-(4-fluorophenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol.
What is the SMILES notation for [1-benzyl-4-(4-fluorophenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol?
The canonical SMILES for [1-benzyl-4-(4-fluorophenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol is OCC1CN(Cc2ccccc2)C=CC1c1ccc(F)cc1.
What is the InChIKey of [1-benzyl-4-(4-fluorophenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol?
The InChIKey is SDEMCQKGXWPHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c20-18-8-6-16(7-9-18)19-10-11-21(13-17(19)14-22)12-15-4-2-1-3-5-15/h1-11,17,19,22H,12-14H2.
What are the key properties of [1-benzyl-4-(4-fluorophenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol?
[1-benzyl-4-(4-fluorophenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol has a molecular weight of 297.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-4-(4-fluorophenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol is sourced from PubChem (CID 22320564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).