4-(2-benzhydryloxyethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine

C29H32FNO — CID 10550539

IUPAC4-(2-benzhydryloxyethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine
SMILESFc1ccc(/C=C/CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H32FNO/c30-28-15-13-24(14-16-28)8-7-20-31-21-17-25(18-22-31)19-23-32-29(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-16,25,29H,17-23H2/b8-7+
InChIKeyXAYIMTUFTYRXRB-BQYQJAHWSA-N
MW429.58 g/mol
LogP6.75
Rot. Bonds9

About 4-(2-benzhydryloxyethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine

4-(2-benzhydryloxyethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine (PubChem CID 10550539) has the molecular formula C29H32FNO and a molecular weight of 429.58 g/mol. Its IUPAC name is 4-(2-benzhydryloxyethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine.

Molecular Properties

Compound Name4-(2-benzhydryloxyethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine
PubChem CID10550539
Molecular FormulaC29H32FNO
Molecular Weight429.58 g/mol
Exact Mass429.25
IUPAC Name4-(2-benzhydryloxyethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine
SMILESFc1ccc(/C=C/CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H32FNO/c30-28-15-13-24(14-16-28)8-7-20-31-21-17-25(18-22-31)19-23-32-29(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-16,25,29H,17-23H2/b8-7+
InChIKeyXAYIMTUFTYRXRB-BQYQJAHWSA-N
XLogP6.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.58
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3103
Vanoxerine
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CID 3456
1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenyl-2-propenyl)piperazine
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1-(4-(2-(Bis(4-fluorophenyl)methoxy)ethyl)piperazinyl)-3-phenylpropan-2-ol
CID 20443037
1-(2-(Bis(4-fluorophenyl)methoxy)ethyl)-4-(3-phenyl-2-propenyl)piperazine
CID 5974189
3-(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-piperazin-1-yl)-1-phenyl-propan-1-ol
CID 401916
(2S)-1-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-3-phenylpropan-2-ol
CID 10479666
4-[2-(Diphenylmethoxy)ethyl]-1-[(4-iodophenyl)methyl]piperidine
CID 9914327
Vanoxerine dihydrochloride
CID 104920
Perastine
CID 411828

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzhydryloxyethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine?
The IUPAC name of 4-(2-benzhydryloxyethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine (CID 10550539) is 4-(2-benzhydryloxyethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine.
What is the SMILES notation for 4-(2-benzhydryloxyethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine?
The canonical SMILES for 4-(2-benzhydryloxyethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine is Fc1ccc(/C=C/CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(2-benzhydryloxyethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine?
The InChIKey is XAYIMTUFTYRXRB-BQYQJAHWSA-N. The full InChI is InChI=1S/C29H32FNO/c30-28-15-13-24(14-16-28)8-7-20-31-21-17-25(18-22-31)19-23-32-29(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-16,25,29H,17-23H2/b8-7+.
What are the key properties of 4-(2-benzhydryloxyethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine?
4-(2-benzhydryloxyethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine has a molecular weight of 429.58 g/mol, XLogP of 6.75, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzhydryloxyethyl)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidine is sourced from PubChem (CID 10550539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).