1-[1-(4-fluorophenyl)-2-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]ethyl]-4-propan-2-ylpiperazine

C32H43FN4O — CID 44528908

IUPAC1-[1-(4-fluorophenyl)-2-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]ethyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C(CN2CCN(CCCOc3ccc4ccccc4c3)CC2)c2ccc(F)cc2)CC1
InChIInChI=1S/C32H43FN4O/c1-26(2)36-19-21-37(22-20-36)32(28-8-11-30(33)12-9-28)25-35-17-15-34(16-18-35)14-5-23-38-31-13-10-27-6-3-4-7-29(27)24-31/h3-4,6-13,24,26,32H,5,14-23,25H2,1-2H3
InChIKeyMEJKIBRHTNWGNT-UHFFFAOYSA-N
MW518.72 g/mol
LogP5.13
Rot. Bonds10

About 1-[1-(4-fluorophenyl)-2-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]ethyl]-4-propan-2-ylpiperazine

1-[1-(4-fluorophenyl)-2-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]ethyl]-4-propan-2-ylpiperazine (PubChem CID 44528908) has the molecular formula C32H43FN4O and a molecular weight of 518.72 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-2-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]ethyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-2-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]ethyl]-4-propan-2-ylpiperazine
PubChem CID44528908
Molecular FormulaC32H43FN4O
Molecular Weight518.72 g/mol
Exact Mass518.34
IUPAC Name1-[1-(4-fluorophenyl)-2-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]ethyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C(CN2CCN(CCCOc3ccc4ccccc4c3)CC2)c2ccc(F)cc2)CC1
InChIInChI=1S/C32H43FN4O/c1-26(2)36-19-21-37(22-20-36)32(28-8-11-30(33)12-9-28)25-35-17-15-34(16-18-35)14-5-23-38-31-13-10-27-6-3-4-7-29(27)24-31/h3-4,6-13,24,26,32H,5,14-23,25H2,1-2H3
InChIKeyMEJKIBRHTNWGNT-UHFFFAOYSA-N
XLogP5.13
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.72
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[1-(4-fluorophenyl)-2-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]ethyl]-4-propan-2-ylpiperazine 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

4-[bis(4-fluorophenyl)methyl]-1-(2-naphthalen-2-yloxyethyl)piperidine
CID 14407118
5-[3-[4-[2-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]propyl]-4-phenylpyrimidin-2-amine
CID 23030969
3,4-difluoro-N-[(4-fluorophenyl)-[1-(3-naphthalen-2-yloxypropyl)piperidin-4-yl]methyl]aniline
CID 19772012
1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine
CID 47010456
(2R)-1-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol
CID 69425125
1-[2-(2-naphthalen-2-yloxyethoxy)ethyl]pyrrolidine
CID 2246231
3,4-difluoro-N-[(4-fluorophenyl)-[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methyl]aniline
CID 19771927
1-[3-(2-bromo-6-fluorophenoxy)propyl]-4-propan-2-ylpiperazine
CID 171109357
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 6602971
1-[4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]-2-methoxyphenyl]ethanone
CID 15093874
7-[3-[4-(2,4-difluorophenyl)piperidin-1-yl]propoxy]-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine
CID 21108122
2-(4-fluorophenyl)-4-naphthalen-2-yloxybutanenitrile
CID 82137170

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-2-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]ethyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[1-(4-fluorophenyl)-2-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]ethyl]-4-propan-2-ylpiperazine (CID 44528908) is 1-[1-(4-fluorophenyl)-2-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]ethyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-2-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]ethyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[1-(4-fluorophenyl)-2-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]ethyl]-4-propan-2-ylpiperazine is CC(C)N1CCN(C(CN2CCN(CCCOc3ccc4ccccc4c3)CC2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-2-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]ethyl]-4-propan-2-ylpiperazine?
The InChIKey is MEJKIBRHTNWGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43FN4O/c1-26(2)36-19-21-37(22-20-36)32(28-8-11-30(33)12-9-28)25-35-17-15-34(16-18-35)14-5-23-38-31-13-10-27-6-3-4-7-29(27)24-31/h3-4,6-13,24,26,32H,5,14-23,25H2,1-2H3.
What are the key properties of 1-[1-(4-fluorophenyl)-2-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]ethyl]-4-propan-2-ylpiperazine?
1-[1-(4-fluorophenyl)-2-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]ethyl]-4-propan-2-ylpiperazine has a molecular weight of 518.72 g/mol, XLogP of 5.13, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-2-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]ethyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 44528908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).