(2,3-dimethoxyphenyl)-[2-[1-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol

C22H28FNO3 — CID 22737858

IUPAC(2,3-dimethoxyphenyl)-[2-[1-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
SMILESCOc1cccc(C(O)C2CCNC(C(C)c3ccc(F)cc3)C2)c1OC
InChIInChI=1S/C22H28FNO3/c1-14(15-7-9-17(23)10-8-15)19-13-16(11-12-24-19)21(25)18-5-4-6-20(26-2)22(18)27-3/h4-10,14,16,19,21,24-25H,11-13H2,1-3H3
InChIKeyXKJFKPQKLVZSPA-UHFFFAOYSA-N
MW373.47 g/mol
LogP4.05
Rot. Bonds6

About (2,3-dimethoxyphenyl)-[2-[1-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol

(2,3-dimethoxyphenyl)-[2-[1-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol (PubChem CID 22737858) has the molecular formula C22H28FNO3 and a molecular weight of 373.47 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-[2-[1-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-[2-[1-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
PubChem CID22737858
Molecular FormulaC22H28FNO3
Molecular Weight373.47 g/mol
Exact Mass373.21
IUPAC Name(2,3-dimethoxyphenyl)-[2-[1-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
SMILESCOc1cccc(C(O)C2CCNC(C(C)c3ccc(F)cc3)C2)c1OC
InChIInChI=1S/C22H28FNO3/c1-14(15-7-9-17(23)10-8-15)19-13-16(11-12-24-19)21(25)18-5-4-6-20(26-2)22(18)27-3/h4-10,14,16,19,21,24-25H,11-13H2,1-3H3
InChIKeyXKJFKPQKLVZSPA-UHFFFAOYSA-N
XLogP4.05
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-fluorophenyl)ethyl]-2,3-dimethoxybenzene
CID 174534861
(R)-(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
CID 25242563
1-[4-[(2,3-dimethoxyphenyl)-hydroxymethyl]piperidin-1-yl]-2-(4-fluorophenyl)(111C)ethanone
CID 11760841
(2,3-dimethoxyphenyl)-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methanol
CID 18786048
(1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol
CID 171162145
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanol
CID 63895257
cyclooctyl-(2-fluoro-3-methoxyphenyl)methanol
CID 82808519
(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122331
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(2-fluoro-3-methoxyphenyl)methanol
CID 115828514
(2,3-dimethoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79901527
cyclohex-3-en-1-yl-(2-fluoro-3-methoxyphenyl)methanol
CID 82805925

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-[2-[1-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol?
The IUPAC name of (2,3-dimethoxyphenyl)-[2-[1-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol (CID 22737858) is (2,3-dimethoxyphenyl)-[2-[1-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol.
What is the SMILES notation for (2,3-dimethoxyphenyl)-[2-[1-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol?
The canonical SMILES for (2,3-dimethoxyphenyl)-[2-[1-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol is COc1cccc(C(O)C2CCNC(C(C)c3ccc(F)cc3)C2)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-[2-[1-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol?
The InChIKey is XKJFKPQKLVZSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNO3/c1-14(15-7-9-17(23)10-8-15)19-13-16(11-12-24-19)21(25)18-5-4-6-20(26-2)22(18)27-3/h4-10,14,16,19,21,24-25H,11-13H2,1-3H3.
What are the key properties of (2,3-dimethoxyphenyl)-[2-[1-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol?
(2,3-dimethoxyphenyl)-[2-[1-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol has a molecular weight of 373.47 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-[2-[1-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 22737858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).