2-[(E)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]prop-1-enyl]-N,N-diethylaniline

C30H35F2N3 — CID 67933536

IUPAC2-[(E)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]prop-1-enyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccccc1/C=C/CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C30H35F2N3/c1-3-34(4-2)29-10-6-5-8-24(29)9-7-19-33-20-22-35(23-21-33)30(25-11-15-27(31)16-12-25)26-13-17-28(32)18-14-26/h5-18,30H,3-4,19-23H2,1-2H3/b9-7+
InChIKeyNHYCPLGBVYBGAB-VQHVLOKHSA-N
MW475.63 g/mol
LogP6.23
Rot. Bonds9

About 2-[(E)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]prop-1-enyl]-N,N-diethylaniline

2-[(E)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]prop-1-enyl]-N,N-diethylaniline (PubChem CID 67933536) has the molecular formula C30H35F2N3 and a molecular weight of 475.63 g/mol. Its IUPAC name is 2-[(E)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]prop-1-enyl]-N,N-diethylaniline.

Molecular Properties

Compound Name2-[(E)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]prop-1-enyl]-N,N-diethylaniline
PubChem CID67933536
Molecular FormulaC30H35F2N3
Molecular Weight475.63 g/mol
Exact Mass475.28
IUPAC Name2-[(E)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]prop-1-enyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccccc1/C=C/CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C30H35F2N3/c1-3-34(4-2)29-10-6-5-8-24(29)9-7-19-33-20-22-35(23-21-33)30(25-11-15-27(31)16-12-25)26-13-17-28(32)18-14-26/h5-18,30H,3-4,19-23H2,1-2H3/b9-7+
InChIKeyNHYCPLGBVYBGAB-VQHVLOKHSA-N
XLogP6.23
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.63
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)-(4-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 59781381
4-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]but-2-en-1-ol
CID 91533912
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
1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine
CID 6438850
1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine;2-carbamimidoyl-1,1-dimethylguanidine
CID 176541468
1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride
CID 6444556
1-[bis(4-fluorophenyl)methyl]-4-[2-(4-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine;dihydrochloride
CID 70456938
2-[4-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]but-2-enoxy]acetic acid
CID 90898771
2-[(E)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]prop-1-enyl]phenol
CID 10647833
1-benzhydryl-4-[(E)-3-thiophen-2-ylprop-2-enyl]piperazine
CID 14947206
1-[bis(4-fluorophenyl)methyl]-4-[(2Z)-2-(2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]piperazine
CID 70457249

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]prop-1-enyl]-N,N-diethylaniline?
The IUPAC name of 2-[(E)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]prop-1-enyl]-N,N-diethylaniline (CID 67933536) is 2-[(E)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]prop-1-enyl]-N,N-diethylaniline.
What is the SMILES notation for 2-[(E)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]prop-1-enyl]-N,N-diethylaniline?
The canonical SMILES for 2-[(E)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]prop-1-enyl]-N,N-diethylaniline is CCN(CC)c1ccccc1/C=C/CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[(E)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]prop-1-enyl]-N,N-diethylaniline?
The InChIKey is NHYCPLGBVYBGAB-VQHVLOKHSA-N. The full InChI is InChI=1S/C30H35F2N3/c1-3-34(4-2)29-10-6-5-8-24(29)9-7-19-33-20-22-35(23-21-33)30(25-11-15-27(31)16-12-25)26-13-17-28(32)18-14-26/h5-18,30H,3-4,19-23H2,1-2H3/b9-7+.
What are the key properties of 2-[(E)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]prop-1-enyl]-N,N-diethylaniline?
2-[(E)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]prop-1-enyl]-N,N-diethylaniline has a molecular weight of 475.63 g/mol, XLogP of 6.23, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]prop-1-enyl]-N,N-diethylaniline is sourced from PubChem (CID 67933536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).