(3R)-3-[3-ethoxypropoxy-(3-fluorophenyl)methyl]-1-[5-[3-ethoxypropoxy-[(3R)-piperidin-3-yl]methyl]-2-fluorophenyl]piperidine

C34H50F2N2O4 — CID 69468005

IUPAC(3R)-3-[3-ethoxypropoxy-(3-fluorophenyl)methyl]-1-[5-[3-ethoxypropoxy-[(3R)-piperidin-3-yl]methyl]-2-fluorophenyl]piperidine
SMILESCCOCCCOC(c1ccc(F)c(N2CCC[C@@H](C(OCCCOCC)c3cccc(F)c3)C2)c1)[C@@H]1CCCNC1
InChIInChI=1S/C34H50F2N2O4/c1-3-39-18-8-20-41-33(28-11-6-16-37-24-28)27-14-15-31(36)32(23-27)38-17-7-12-29(25-38)34(42-21-9-19-40-4-2)26-10-5-13-30(35)22-26/h5,10,13-15,22-23,28-29,33-34,37H,3-4,6-9,11-12,16-21,24-25H2,1-2H3/t28-,29-,33?,34?/m1/s1
InChIKeyMHMVARVBOVRHKA-ZAPYAPRUSA-N
MW588.78 g/mol
LogP6.85
Rot. Bonds17

About (3R)-3-[3-ethoxypropoxy-(3-fluorophenyl)methyl]-1-[5-[3-ethoxypropoxy-[(3R)-piperidin-3-yl]methyl]-2-fluorophenyl]piperidine

(3R)-3-[3-ethoxypropoxy-(3-fluorophenyl)methyl]-1-[5-[3-ethoxypropoxy-[(3R)-piperidin-3-yl]methyl]-2-fluorophenyl]piperidine (PubChem CID 69468005) has the molecular formula C34H50F2N2O4 and a molecular weight of 588.78 g/mol. Its IUPAC name is (3R)-3-[3-ethoxypropoxy-(3-fluorophenyl)methyl]-1-[5-[3-ethoxypropoxy-[(3R)-piperidin-3-yl]methyl]-2-fluorophenyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[3-ethoxypropoxy-(3-fluorophenyl)methyl]-1-[5-[3-ethoxypropoxy-[(3R)-piperidin-3-yl]methyl]-2-fluorophenyl]piperidine
PubChem CID69468005
Molecular FormulaC34H50F2N2O4
Molecular Weight588.78 g/mol
Exact Mass588.37
IUPAC Name(3R)-3-[3-ethoxypropoxy-(3-fluorophenyl)methyl]-1-[5-[3-ethoxypropoxy-[(3R)-piperidin-3-yl]methyl]-2-fluorophenyl]piperidine
SMILESCCOCCCOC(c1ccc(F)c(N2CCC[C@@H](C(OCCCOCC)c3cccc(F)c3)C2)c1)[C@@H]1CCCNC1
InChIInChI=1S/C34H50F2N2O4/c1-3-39-18-8-20-41-33(28-11-6-16-37-24-28)27-14-15-31(36)32(23-27)38-17-7-12-29(25-38)34(42-21-9-19-40-4-2)26-10-5-13-30(35)22-26/h5,10,13-15,22-23,28-29,33-34,37H,3-4,6-9,11-12,16-21,24-25H2,1-2H3/t28-,29-,33?,34?/m1/s1
InChIKeyMHMVARVBOVRHKA-ZAPYAPRUSA-N
XLogP6.85
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.78
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3R)-3-[3-ethoxypropoxy-(3-fluorophenyl)methyl]-1-[5-[3-ethoxypropoxy-[(3R)-piperidin-3-yl]methyl]-2-fluorophenyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-[(R)-3-ethoxypropoxy-(3-fluorophenyl)methyl]piperidine
CID 67192571
(3R)-3-[3-ethoxypropoxy(phenyl)methyl]piperidine
CID 67190399
3-[3-ethoxypropoxy(phenyl)methyl]pyrrolidine
CID 57419610
(3R)-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[3-ethoxypropoxy-(3-fluorophenyl)methyl]piperidine-1-carboxamide
CID 67190425
2-[(3-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid
CID 68715376
(3R)-3-[(R)-(3-chlorophenyl)-(3-ethoxypropoxy)methyl]-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 67189405
(3R)-3-[2-cyclopropylethoxy(phenyl)methyl]piperidine
CID 67190238
(3R)-N-[1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]-3-[(R)-3-ethoxypropoxy-(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 67191571
3-[4-methoxybutoxy(phenyl)methyl]piperidine;4-methoxy-1-phenyl-1-piperidin-3-ylbutan-1-ol
CID 69470017
1-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119887880
2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethanol
CID 70639511
methyl N-[2-[(R)-[(3R)-1-[ethylamino(propan-2-yl)carbamoyl]piperidin-3-yl]-(3-fluorophenyl)methoxy]ethyl]carbamate
CID 68712849

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-ethoxypropoxy-(3-fluorophenyl)methyl]-1-[5-[3-ethoxypropoxy-[(3R)-piperidin-3-yl]methyl]-2-fluorophenyl]piperidine?
The IUPAC name of (3R)-3-[3-ethoxypropoxy-(3-fluorophenyl)methyl]-1-[5-[3-ethoxypropoxy-[(3R)-piperidin-3-yl]methyl]-2-fluorophenyl]piperidine (CID 69468005) is (3R)-3-[3-ethoxypropoxy-(3-fluorophenyl)methyl]-1-[5-[3-ethoxypropoxy-[(3R)-piperidin-3-yl]methyl]-2-fluorophenyl]piperidine.
What is the SMILES notation for (3R)-3-[3-ethoxypropoxy-(3-fluorophenyl)methyl]-1-[5-[3-ethoxypropoxy-[(3R)-piperidin-3-yl]methyl]-2-fluorophenyl]piperidine?
The canonical SMILES for (3R)-3-[3-ethoxypropoxy-(3-fluorophenyl)methyl]-1-[5-[3-ethoxypropoxy-[(3R)-piperidin-3-yl]methyl]-2-fluorophenyl]piperidine is CCOCCCOC(c1ccc(F)c(N2CCC[C@@H](C(OCCCOCC)c3cccc(F)c3)C2)c1)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-3-[3-ethoxypropoxy-(3-fluorophenyl)methyl]-1-[5-[3-ethoxypropoxy-[(3R)-piperidin-3-yl]methyl]-2-fluorophenyl]piperidine?
The InChIKey is MHMVARVBOVRHKA-ZAPYAPRUSA-N. The full InChI is InChI=1S/C34H50F2N2O4/c1-3-39-18-8-20-41-33(28-11-6-16-37-24-28)27-14-15-31(36)32(23-27)38-17-7-12-29(25-38)34(42-21-9-19-40-4-2)26-10-5-13-30(35)22-26/h5,10,13-15,22-23,28-29,33-34,37H,3-4,6-9,11-12,16-21,24-25H2,1-2H3/t28-,29-,33?,34?/m1/s1.
What are the key properties of (3R)-3-[3-ethoxypropoxy-(3-fluorophenyl)methyl]-1-[5-[3-ethoxypropoxy-[(3R)-piperidin-3-yl]methyl]-2-fluorophenyl]piperidine?
(3R)-3-[3-ethoxypropoxy-(3-fluorophenyl)methyl]-1-[5-[3-ethoxypropoxy-[(3R)-piperidin-3-yl]methyl]-2-fluorophenyl]piperidine has a molecular weight of 588.78 g/mol, XLogP of 6.85, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-ethoxypropoxy-(3-fluorophenyl)methyl]-1-[5-[3-ethoxypropoxy-[(3R)-piperidin-3-yl]methyl]-2-fluorophenyl]piperidine is sourced from PubChem (CID 69468005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).