[1-[3-(4-ethylphenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol

C29H33F2NO2 — CID 23036458

IUPAC[1-[3-(4-ethylphenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol
SMILESCCc1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C29H33F2NO2/c1-2-22-4-14-28(15-5-22)34-21-3-18-32-19-16-25(17-20-32)29(33,23-6-10-26(30)11-7-23)24-8-12-27(31)13-9-24/h4-15,25,33H,2-3,16-21H2,1H3
InChIKeyPRMUEEVLNKBVMW-UHFFFAOYSA-N
MW465.58 g/mol
LogP5.94
Rot. Bonds9

About [1-[3-(4-ethylphenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol

[1-[3-(4-ethylphenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol (PubChem CID 23036458) has the molecular formula C29H33F2NO2 and a molecular weight of 465.58 g/mol. Its IUPAC name is [1-[3-(4-ethylphenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[1-[3-(4-ethylphenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol
PubChem CID23036458
Molecular FormulaC29H33F2NO2
Molecular Weight465.58 g/mol
Exact Mass465.25
IUPAC Name[1-[3-(4-ethylphenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol
SMILESCCc1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C29H33F2NO2/c1-2-22-4-14-28(15-5-22)34-21-3-18-32-19-16-25(17-20-32)29(33,23-6-10-26(30)11-7-23)24-8-12-27(31)13-9-24/h4-15,25,33H,2-3,16-21H2,1H3
InChIKeyPRMUEEVLNKBVMW-UHFFFAOYSA-N
XLogP5.94
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.58
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

UK 78282
CID 656768
Alx 5407
CID 6604909
2-[[3-(4-Fluorophenyl)-3-(4-phenylphenoxy)propyl]-methylamino]acetic acid
CID 5311283
Miproxifene
CID 3037015
4-[3-(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-piperazin-1-yl)-propyl]-phenol
CID 10504397
4-(3-(4-(Cyclopentyl(hydroxy)(phenyl)methyl)piperidin-1-yl)propoxy)benzonitrile
CID 46926632
4-(3-{4-[(S)-Cyclopentyl(Hydroxy)phenylmethyl]piperidin-1-Yl}propoxy)benzonitrile
CID 49791889
4-(3-{4-[(R)-Cyclopentyl(Hydroxy)phenylmethyl]piperidin-1-Yl}propoxy)benzonitrile
CID 49791890
4-[Hydroxy(diphenyl)methyl]-1-[3-(phenyloxy)propyl]-1-azoniabicyclo[2.2.2]octane Bromide
CID 11691949
4-[Hydroxy(diphenyl)methyl]-1-[2-(phenyloxy)ethyl]-1-azoniabicyclo[2.2.2]octane Bromide
CID 11705919
1-[3-[4-[4-(3-Piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949667
1-{3-[4-(1-Hydroxy-1-propylbutyl)-phenoxy]propyl}piperidine
CID 11978735

Frequently Asked Questions

What is the IUPAC name of [1-[3-(4-ethylphenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol?
The IUPAC name of [1-[3-(4-ethylphenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol (CID 23036458) is [1-[3-(4-ethylphenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol.
What is the SMILES notation for [1-[3-(4-ethylphenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol?
The canonical SMILES for [1-[3-(4-ethylphenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol is CCc1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of [1-[3-(4-ethylphenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol?
The InChIKey is PRMUEEVLNKBVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F2NO2/c1-2-22-4-14-28(15-5-22)34-21-3-18-32-19-16-25(17-20-32)29(33,23-6-10-26(30)11-7-23)24-8-12-27(31)13-9-24/h4-15,25,33H,2-3,16-21H2,1H3.
What are the key properties of [1-[3-(4-ethylphenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol?
[1-[3-(4-ethylphenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol has a molecular weight of 465.58 g/mol, XLogP of 5.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(4-ethylphenoxy)propyl]piperidin-4-yl]-bis(4-fluorophenyl)methanol is sourced from PubChem (CID 23036458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).