1-[bis(4-fluorophenyl)methyl]-4-[2-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine

C30H32F2N2O — CID 57107726

IUPAC1-[bis(4-fluorophenyl)methyl]-4-[2-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine
SMILESCOc1cccc2c1CCCC2=CCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C30H32F2N2O/c1-35-29-7-3-5-27-22(4-2-6-28(27)29)16-17-33-18-20-34(21-19-33)30(23-8-12-25(31)13-9-23)24-10-14-26(32)15-11-24/h3,5,7-16,30H,2,4,6,17-21H2,1H3
InChIKeyORIWIRHIRGGNBN-UHFFFAOYSA-N
MW474.60 g/mol
LogP6.10
Rot. Bonds6

About 1-[bis(4-fluorophenyl)methyl]-4-[2-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine

1-[bis(4-fluorophenyl)methyl]-4-[2-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine (PubChem CID 57107726) has the molecular formula C30H32F2N2O and a molecular weight of 474.60 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methyl]-4-[2-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)methyl]-4-[2-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine
PubChem CID57107726
Molecular FormulaC30H32F2N2O
Molecular Weight474.60 g/mol
Exact Mass474.25
IUPAC Name1-[bis(4-fluorophenyl)methyl]-4-[2-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine
SMILESCOc1cccc2c1CCCC2=CCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C30H32F2N2O/c1-35-29-7-3-5-27-22(4-2-6-28(27)29)16-17-33-18-20-34(21-19-33)30(23-8-12-25(31)13-9-23)24-10-14-26(32)15-11-24/h3,5,7-16,30H,2,4,6,17-21H2,1H3
InChIKeyORIWIRHIRGGNBN-UHFFFAOYSA-N
XLogP6.10
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[bis(4-fluorophenyl)methyl]-4-[2-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine;dihydrochloride
CID 70456938
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-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine
CID 6438850
1-[bis(4-fluorophenyl)methyl]-4-[3-(2,3,4-trimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 3025637
(Z)-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]but-2-en-1-ol
CID 66917960
[4-[(Z)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]prop-1-enyl]-2-methoxyphenyl] acetate
CID 74228003
4-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]but-2-en-1-ol
CID 91533912
1-[bis(4-fluorophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine;hydrate;hydrochloride
CID 21154125
1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-methoxypropan-2-ol
CID 58891222
2-[(E)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]prop-1-enyl]-N,N-diethylaniline
CID 67933536
1-[(4-fluorophenyl)-(4-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 59781381
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-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine?
The IUPAC name of 1-[bis(4-fluorophenyl)methyl]-4-[2-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine (CID 57107726) is 1-[bis(4-fluorophenyl)methyl]-4-[2-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine.
What is the SMILES notation for 1-[bis(4-fluorophenyl)methyl]-4-[2-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine?
The canonical SMILES for 1-[bis(4-fluorophenyl)methyl]-4-[2-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine is COc1cccc2c1CCCC2=CCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[bis(4-fluorophenyl)methyl]-4-[2-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine?
The InChIKey is ORIWIRHIRGGNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N2O/c1-35-29-7-3-5-27-22(4-2-6-28(27)29)16-17-33-18-20-34(21-19-33)30(23-8-12-25(31)13-9-23)24-10-14-26(32)15-11-24/h3,5,7-16,30H,2,4,6,17-21H2,1H3.
What are the key properties of 1-[bis(4-fluorophenyl)methyl]-4-[2-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine?
1-[bis(4-fluorophenyl)methyl]-4-[2-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine has a molecular weight of 474.60 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-fluorophenyl)methyl]-4-[2-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine is sourced from PubChem (CID 57107726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).