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

C30H32F2N2 — CID 70457249

IUPAC1-[bis(4-fluorophenyl)methyl]-4-[(2Z)-2-(2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine
SMILESCC1CCc2ccccc2/C1=C\CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C30H32F2N2/c1-22-6-7-23-4-2-3-5-29(23)28(22)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/b28-16-
InChIKeyTYLLVVHYWOJHGJ-NTFVMDSBSA-N
MW458.60 g/mol
LogP6.34
Rot. Bonds5

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

1-[bis(4-fluorophenyl)methyl]-4-[(2Z)-2-(2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine (PubChem CID 70457249) has the molecular formula C30H32F2N2 and a molecular weight of 458.60 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methyl]-4-[(2Z)-2-(2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)methyl]-4-[(2Z)-2-(2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine
PubChem CID70457249
Molecular FormulaC30H32F2N2
Molecular Weight458.60 g/mol
Exact Mass458.25
IUPAC Name1-[bis(4-fluorophenyl)methyl]-4-[(2Z)-2-(2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine
SMILESCC1CCc2ccccc2/C1=C\CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C30H32F2N2/c1-22-6-7-23-4-2-3-5-29(23)28(22)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/b28-16-
InChIKeyTYLLVVHYWOJHGJ-NTFVMDSBSA-N
XLogP6.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-fluorophenyl)methyl]-4-[(2Z)-2-(2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine?
The IUPAC name of 1-[bis(4-fluorophenyl)methyl]-4-[(2Z)-2-(2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine (CID 70457249) is 1-[bis(4-fluorophenyl)methyl]-4-[(2Z)-2-(2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine.
What is the SMILES notation for 1-[bis(4-fluorophenyl)methyl]-4-[(2Z)-2-(2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine?
The canonical SMILES for 1-[bis(4-fluorophenyl)methyl]-4-[(2Z)-2-(2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine is CC1CCc2ccccc2/C1=C\CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[bis(4-fluorophenyl)methyl]-4-[(2Z)-2-(2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine?
The InChIKey is TYLLVVHYWOJHGJ-NTFVMDSBSA-N. The full InChI is InChI=1S/C30H32F2N2/c1-22-6-7-23-4-2-3-5-29(23)28(22)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/b28-16-.
What are the key properties of 1-[bis(4-fluorophenyl)methyl]-4-[(2Z)-2-(2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine?
1-[bis(4-fluorophenyl)methyl]-4-[(2Z)-2-(2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine has a molecular weight of 458.60 g/mol, XLogP of 6.34, 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-[(2Z)-2-(2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine is sourced from PubChem (CID 70457249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).