4-benzhydrylidene-1-[(Z)-4-(4-fluorophenyl)-4-phenylbut-3-enyl]piperidine

C34H32FN — CID 10140278

IUPAC4-benzhydrylidene-1-[(Z)-4-(4-fluorophenyl)-4-phenylbut-3-enyl]piperidine
SMILESFc1ccc(/C(=C\CCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C34H32FN/c35-32-20-18-28(19-21-32)33(27-11-4-1-5-12-27)17-10-24-36-25-22-31(23-26-36)34(29-13-6-2-7-14-29)30-15-8-3-9-16-30/h1-9,11-21H,10,22-26H2/b33-17-
InChIKeyRXMZCSDEDPBPMR-FZPRHHONSA-N
MW473.64 g/mol
LogP8.25
Rot. Bonds7

About 4-benzhydrylidene-1-[(Z)-4-(4-fluorophenyl)-4-phenylbut-3-enyl]piperidine

4-benzhydrylidene-1-[(Z)-4-(4-fluorophenyl)-4-phenylbut-3-enyl]piperidine (PubChem CID 10140278) has the molecular formula C34H32FN and a molecular weight of 473.64 g/mol. Its IUPAC name is 4-benzhydrylidene-1-[(Z)-4-(4-fluorophenyl)-4-phenylbut-3-enyl]piperidine.

Molecular Properties

Compound Name4-benzhydrylidene-1-[(Z)-4-(4-fluorophenyl)-4-phenylbut-3-enyl]piperidine
PubChem CID10140278
Molecular FormulaC34H32FN
Molecular Weight473.64 g/mol
Exact Mass473.25
IUPAC Name4-benzhydrylidene-1-[(Z)-4-(4-fluorophenyl)-4-phenylbut-3-enyl]piperidine
SMILESFc1ccc(/C(=C\CCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C34H32FN/c35-32-20-18-28(19-21-32)33(27-11-4-1-5-12-27)17-10-24-36-25-22-31(23-26-36)34(29-13-6-2-7-14-29)30-15-8-3-9-16-30/h1-9,11-21H,10,22-26H2/b33-17-
InChIKeyRXMZCSDEDPBPMR-FZPRHHONSA-N
XLogP8.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.64
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-benzhydrylidene-1-[(Z)-4-(4-fluorophenyl)-4-phenylbut-3-enyl]piperidine?
The IUPAC name of 4-benzhydrylidene-1-[(Z)-4-(4-fluorophenyl)-4-phenylbut-3-enyl]piperidine (CID 10140278) is 4-benzhydrylidene-1-[(Z)-4-(4-fluorophenyl)-4-phenylbut-3-enyl]piperidine.
What is the SMILES notation for 4-benzhydrylidene-1-[(Z)-4-(4-fluorophenyl)-4-phenylbut-3-enyl]piperidine?
The canonical SMILES for 4-benzhydrylidene-1-[(Z)-4-(4-fluorophenyl)-4-phenylbut-3-enyl]piperidine is Fc1ccc(/C(=C\CCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1.
What is the InChIKey of 4-benzhydrylidene-1-[(Z)-4-(4-fluorophenyl)-4-phenylbut-3-enyl]piperidine?
The InChIKey is RXMZCSDEDPBPMR-FZPRHHONSA-N. The full InChI is InChI=1S/C34H32FN/c35-32-20-18-28(19-21-32)33(27-11-4-1-5-12-27)17-10-24-36-25-22-31(23-26-36)34(29-13-6-2-7-14-29)30-15-8-3-9-16-30/h1-9,11-21H,10,22-26H2/b33-17-.
What are the key properties of 4-benzhydrylidene-1-[(Z)-4-(4-fluorophenyl)-4-phenylbut-3-enyl]piperidine?
4-benzhydrylidene-1-[(Z)-4-(4-fluorophenyl)-4-phenylbut-3-enyl]piperidine has a molecular weight of 473.64 g/mol, XLogP of 8.25, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydrylidene-1-[(Z)-4-(4-fluorophenyl)-4-phenylbut-3-enyl]piperidine is sourced from PubChem (CID 10140278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).