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

C27H30FNO — CID 10179326

IUPAC4-(2-benzhydryloxyethyl)-1-[(3-fluorophenyl)methyl]piperidine
SMILESFc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C27H30FNO/c28-26-13-7-8-23(20-26)21-29-17-14-22(15-18-29)16-19-30-27(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-13,20,22,27H,14-19,21H2
InChIKeyYFVSLEQKBSXQGQ-UHFFFAOYSA-N
MW403.54 g/mol
LogP6.23
Rot. Bonds8

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

4-(2-benzhydryloxyethyl)-1-[(3-fluorophenyl)methyl]piperidine (PubChem CID 10179326) has the molecular formula C27H30FNO and a molecular weight of 403.54 g/mol. Its IUPAC name is 4-(2-benzhydryloxyethyl)-1-[(3-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-(2-benzhydryloxyethyl)-1-[(3-fluorophenyl)methyl]piperidine
PubChem CID10179326
Molecular FormulaC27H30FNO
Molecular Weight403.54 g/mol
Exact Mass403.23
IUPAC Name4-(2-benzhydryloxyethyl)-1-[(3-fluorophenyl)methyl]piperidine
SMILESFc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C27H30FNO/c28-26-13-7-8-23(20-26)21-29-17-14-22(15-18-29)16-19-30-27(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-13,20,22,27H,14-19,21H2
InChIKeyYFVSLEQKBSXQGQ-UHFFFAOYSA-N
XLogP6.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.54
LogP ≤ 56.23
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-fluorophenyl)methyl]piperidine?
The IUPAC name of 4-(2-benzhydryloxyethyl)-1-[(3-fluorophenyl)methyl]piperidine (CID 10179326) is 4-(2-benzhydryloxyethyl)-1-[(3-fluorophenyl)methyl]piperidine.
What is the SMILES notation for 4-(2-benzhydryloxyethyl)-1-[(3-fluorophenyl)methyl]piperidine?
The canonical SMILES for 4-(2-benzhydryloxyethyl)-1-[(3-fluorophenyl)methyl]piperidine is Fc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1.
What is the InChIKey of 4-(2-benzhydryloxyethyl)-1-[(3-fluorophenyl)methyl]piperidine?
The InChIKey is YFVSLEQKBSXQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FNO/c28-26-13-7-8-23(20-26)21-29-17-14-22(15-18-29)16-19-30-27(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-13,20,22,27H,14-19,21H2.
What are the key properties of 4-(2-benzhydryloxyethyl)-1-[(3-fluorophenyl)methyl]piperidine?
4-(2-benzhydryloxyethyl)-1-[(3-fluorophenyl)methyl]piperidine has a molecular weight of 403.54 g/mol, XLogP of 6.23, 8 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-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 10179326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).