4-(2-benzhydryloxyethyl)-1-[3-(4-fluorophenyl)propyl]piperidine

C29H34FNO — CID 10071418

IUPAC4-(2-benzhydryloxyethyl)-1-[3-(4-fluorophenyl)propyl]piperidine
SMILESFc1ccc(CCCN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H34FNO/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/h1-6,9-16,25,29H,7-8,17-23H2
InChIKeyURHDHOCAMMJPFU-UHFFFAOYSA-N
MW431.60 g/mol
LogP6.67
Rot. Bonds10

About 4-(2-benzhydryloxyethyl)-1-[3-(4-fluorophenyl)propyl]piperidine

4-(2-benzhydryloxyethyl)-1-[3-(4-fluorophenyl)propyl]piperidine (PubChem CID 10071418) has the molecular formula C29H34FNO and a molecular weight of 431.60 g/mol. Its IUPAC name is 4-(2-benzhydryloxyethyl)-1-[3-(4-fluorophenyl)propyl]piperidine.

Molecular Properties

Compound Name4-(2-benzhydryloxyethyl)-1-[3-(4-fluorophenyl)propyl]piperidine
PubChem CID10071418
Molecular FormulaC29H34FNO
Molecular Weight431.60 g/mol
Exact Mass431.26
IUPAC Name4-(2-benzhydryloxyethyl)-1-[3-(4-fluorophenyl)propyl]piperidine
SMILESFc1ccc(CCCN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H34FNO/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/h1-6,9-16,25,29H,7-8,17-23H2
InChIKeyURHDHOCAMMJPFU-UHFFFAOYSA-N
XLogP6.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.60
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-benzhydryloxyethyl)-1-[3-(4-fluorophenyl)propyl]piperidine?
The IUPAC name of 4-(2-benzhydryloxyethyl)-1-[3-(4-fluorophenyl)propyl]piperidine (CID 10071418) is 4-(2-benzhydryloxyethyl)-1-[3-(4-fluorophenyl)propyl]piperidine.
What is the SMILES notation for 4-(2-benzhydryloxyethyl)-1-[3-(4-fluorophenyl)propyl]piperidine?
The canonical SMILES for 4-(2-benzhydryloxyethyl)-1-[3-(4-fluorophenyl)propyl]piperidine is Fc1ccc(CCCN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(2-benzhydryloxyethyl)-1-[3-(4-fluorophenyl)propyl]piperidine?
The InChIKey is URHDHOCAMMJPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FNO/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/h1-6,9-16,25,29H,7-8,17-23H2.
What are the key properties of 4-(2-benzhydryloxyethyl)-1-[3-(4-fluorophenyl)propyl]piperidine?
4-(2-benzhydryloxyethyl)-1-[3-(4-fluorophenyl)propyl]piperidine has a molecular weight of 431.60 g/mol, XLogP of 6.67, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzhydryloxyethyl)-1-[3-(4-fluorophenyl)propyl]piperidine is sourced from PubChem (CID 10071418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).