1-(4-fluorophenyl)-2-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanol

C18H21FN2O2 — CID 167793847

IUPAC1-(4-fluorophenyl)-2-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanol
SMILESOC(CN1CCC(OCc2ccncc2)C1)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O2/c19-16-3-1-15(2-4-16)18(22)12-21-10-7-17(11-21)23-13-14-5-8-20-9-6-14/h1-6,8-9,17-18,22H,7,10-13H2
InChIKeyBDCPKVFHBYOVGX-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.55
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanol

1-(4-fluorophenyl)-2-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanol (PubChem CID 167793847) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanol
PubChem CID167793847
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name1-(4-fluorophenyl)-2-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanol
SMILESOC(CN1CCC(OCc2ccncc2)C1)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O2/c19-16-3-1-15(2-4-16)18(22)12-21-10-7-17(11-21)23-13-14-5-8-20-9-6-14/h1-6,8-9,17-18,22H,7,10-13H2
InChIKeyBDCPKVFHBYOVGX-UHFFFAOYSA-N
XLogP2.55
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 110883521
6-[[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 154800261
1-(4-fluorophenyl)-2-pyridin-4-ylethanol
CID 62553094
(1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 100852909
3-fluoro-4-[[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methyl]benzonitrile
CID 100664156
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
CID 110910508
1-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]imidazolidin-2-one
CID 94392496
1-(4-fluorophenyl)-2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol
CID 75434389
(1S)-1-(4-fluorophenyl)-2-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol
CID 97092115
1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylpiperidine-4-carboxamide
CID 32657544
(2S)-2-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-2-hydroxyacetamide
CID 129489869
1-(4-fluorophenyl)-2-morpholin-4-ylethanol
CID 3678809

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanol (CID 167793847) is 1-(4-fluorophenyl)-2-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanol is OC(CN1CCC(OCc2ccncc2)C1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanol?
The InChIKey is BDCPKVFHBYOVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c19-16-3-1-15(2-4-16)18(22)12-21-10-7-17(11-21)23-13-14-5-8-20-9-6-14/h1-6,8-9,17-18,22H,7,10-13H2.
What are the key properties of 1-(4-fluorophenyl)-2-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanol?
1-(4-fluorophenyl)-2-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanol has a molecular weight of 316.38 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 167793847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).