1-[bis(4-fluorophenyl)methyl]-4-[2-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine;dihydrochloride

C30H34Cl2F2N2 — CID 70456938

IUPAC1-[bis(4-fluorophenyl)methyl]-4-[2-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine;dihydrochloride
SMILESCC1CCC(=CCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c2ccccc21.Cl.Cl
InChIInChI=1S/C30H32F2N2.2ClH/c1-22-6-7-23(29-5-3-2-4-28(22)29)16-17-33-18-20-34(21-19-33)30(24-8-12-26(31)13-9-24)25-10-14-27(32)15-11-25;;/h2-5,8-16,22,30H,6-7,17-21H2,1H3;2*1H
InChIKeyLCGLGLJJOZPHMN-UHFFFAOYSA-N
MW531.52 g/mol
LogP7.50
Rot. Bonds5

About 1-[bis(4-fluorophenyl)methyl]-4-[2-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine;dihydrochloride

1-[bis(4-fluorophenyl)methyl]-4-[2-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine;dihydrochloride (PubChem CID 70456938) has the molecular formula C30H34Cl2F2N2 and a molecular weight of 531.52 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methyl]-4-[2-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)methyl]-4-[2-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine;dihydrochloride
PubChem CID70456938
Molecular FormulaC30H34Cl2F2N2
Molecular Weight531.52 g/mol
Exact Mass530.21
IUPAC Name1-[bis(4-fluorophenyl)methyl]-4-[2-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine;dihydrochloride
SMILESCC1CCC(=CCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c2ccccc21.Cl.Cl
InChIInChI=1S/C30H32F2N2.2ClH/c1-22-6-7-23(29-5-3-2-4-28(22)29)16-17-33-18-20-34(21-19-33)30(24-8-12-26(31)13-9-24)25-10-14-27(32)15-11-25;;/h2-5,8-16,22,30H,6-7,17-21H2,1H3;2*1H
InChIKeyLCGLGLJJOZPHMN-UHFFFAOYSA-N
XLogP7.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.52
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[bis(4-fluorophenyl)methyl]-4-[2-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine;dihydrochloride 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

1-[bis(4-fluorophenyl)methyl]-4-[(2Z)-2-(2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine
CID 70457249
1-[bis(4-fluorophenyl)methyl]-4-[2-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine
CID 57107726
2-[(E)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]prop-1-enyl]-N,N-diethylaniline
CID 67933536
4-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]but-2-en-1-ol
CID 91533912
1-[(4-fluorophenyl)-(4-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 59781381
(Z)-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]but-2-en-1-ol
CID 66917960
1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride
CID 19849738
1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine
CID 67474730
1-[bis(4-fluorophenyl)methyl]-4-[3-(2,3,4-trimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 3025637
1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 56509402
1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-methoxypropan-2-ol
CID 58891222
2-[4-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]but-2-enoxy]acetic acid
CID 90898771

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-fluorophenyl)methyl]-4-[2-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[bis(4-fluorophenyl)methyl]-4-[2-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine;dihydrochloride (CID 70456938) is 1-[bis(4-fluorophenyl)methyl]-4-[2-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[bis(4-fluorophenyl)methyl]-4-[2-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[bis(4-fluorophenyl)methyl]-4-[2-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine;dihydrochloride is CC1CCC(=CCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c2ccccc21.Cl.Cl.
What is the InChIKey of 1-[bis(4-fluorophenyl)methyl]-4-[2-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine;dihydrochloride?
The InChIKey is LCGLGLJJOZPHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N2.2ClH/c1-22-6-7-23(29-5-3-2-4-28(22)29)16-17-33-18-20-34(21-19-33)30(24-8-12-26(31)13-9-24)25-10-14-27(32)15-11-25;;/h2-5,8-16,22,30H,6-7,17-21H2,1H3;2*1H.
What are the key properties of 1-[bis(4-fluorophenyl)methyl]-4-[2-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine;dihydrochloride?
1-[bis(4-fluorophenyl)methyl]-4-[2-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine;dihydrochloride has a molecular weight of 531.52 g/mol, XLogP of 7.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-fluorophenyl)methyl]-4-[2-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 70456938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).