(1R)-1-(3-fluoro-4-methoxyphenyl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanol

C23H27FN2O3 — CID 95172600

IUPAC(1R)-1-(3-fluoro-4-methoxyphenyl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanol
SMILESCOc1ccc2[nH]cc(C3CCN(C[C@H](O)c4ccc(OC)c(F)c4)CC3)c2c1
InChIInChI=1S/C23H27FN2O3/c1-28-17-4-5-21-18(12-17)19(13-25-21)15-7-9-26(10-8-15)14-22(27)16-3-6-23(29-2)20(24)11-16/h3-6,11-13,15,22,25,27H,7-10,14H2,1-2H3/t22-/m0/s1
InChIKeyQRRYEPRVXTZHFX-QFIPXVFZSA-N
MW398.48 g/mol
LogP4.24
Rot. Bonds6

About (1R)-1-(3-fluoro-4-methoxyphenyl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanol

(1R)-1-(3-fluoro-4-methoxyphenyl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanol (PubChem CID 95172600) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is (1R)-1-(3-fluoro-4-methoxyphenyl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(3-fluoro-4-methoxyphenyl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanol
PubChem CID95172600
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name(1R)-1-(3-fluoro-4-methoxyphenyl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanol
SMILESCOc1ccc2[nH]cc(C3CCN(C[C@H](O)c4ccc(OC)c(F)c4)CC3)c2c1
InChIInChI=1S/C23H27FN2O3/c1-28-17-4-5-21-18(12-17)19(13-25-21)15-7-9-26(10-8-15)14-22(27)16-3-6-23(29-2)20(24)11-16/h3-6,11-13,15,22,25,27H,7-10,14H2,1-2H3/t22-/m0/s1
InChIKeyQRRYEPRVXTZHFX-QFIPXVFZSA-N
XLogP4.24
TPSA57.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluoro-4-methoxyphenyl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanol?
The IUPAC name of (1R)-1-(3-fluoro-4-methoxyphenyl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanol (CID 95172600) is (1R)-1-(3-fluoro-4-methoxyphenyl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(3-fluoro-4-methoxyphenyl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanol?
The canonical SMILES for (1R)-1-(3-fluoro-4-methoxyphenyl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanol is COc1ccc2[nH]cc(C3CCN(C[C@H](O)c4ccc(OC)c(F)c4)CC3)c2c1.
What is the InChIKey of (1R)-1-(3-fluoro-4-methoxyphenyl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanol?
The InChIKey is QRRYEPRVXTZHFX-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-28-17-4-5-21-18(12-17)19(13-25-21)15-7-9-26(10-8-15)14-22(27)16-3-6-23(29-2)20(24)11-16/h3-6,11-13,15,22,25,27H,7-10,14H2,1-2H3/t22-/m0/s1.
What are the key properties of (1R)-1-(3-fluoro-4-methoxyphenyl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanol?
(1R)-1-(3-fluoro-4-methoxyphenyl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanol has a molecular weight of 398.48 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluoro-4-methoxyphenyl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 95172600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).