1-(2-benzhydryloxyethyl)-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine

C28H33FN2O — CID 10836499

IUPAC1-(2-benzhydryloxyethyl)-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine
SMILESFc1ccc(CCNC2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H33FN2O/c29-26-13-11-23(12-14-26)15-18-30-27-16-19-31(20-17-27)21-22-32-28(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,27-28,30H,15-22H2
InChIKeyAKCNZFOHJFSRSN-UHFFFAOYSA-N
MW432.58 g/mol
LogP5.23
Rot. Bonds10

About 1-(2-benzhydryloxyethyl)-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine

1-(2-benzhydryloxyethyl)-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine (PubChem CID 10836499) has the molecular formula C28H33FN2O and a molecular weight of 432.58 g/mol. Its IUPAC name is 1-(2-benzhydryloxyethyl)-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-benzhydryloxyethyl)-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine
PubChem CID10836499
Molecular FormulaC28H33FN2O
Molecular Weight432.58 g/mol
Exact Mass432.26
IUPAC Name1-(2-benzhydryloxyethyl)-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine
SMILESFc1ccc(CCNC2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H33FN2O/c29-26-13-11-23(12-14-26)15-18-30-27-16-19-31(20-17-27)21-22-32-28(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,27-28,30H,15-22H2
InChIKeyAKCNZFOHJFSRSN-UHFFFAOYSA-N
XLogP5.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.58
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydryloxyethyl)-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-(2-benzhydryloxyethyl)-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine (CID 10836499) is 1-(2-benzhydryloxyethyl)-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-(2-benzhydryloxyethyl)-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-(2-benzhydryloxyethyl)-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine is Fc1ccc(CCNC2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(2-benzhydryloxyethyl)-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine?
The InChIKey is AKCNZFOHJFSRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN2O/c29-26-13-11-23(12-14-26)15-18-30-27-16-19-31(20-17-27)21-22-32-28(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,27-28,30H,15-22H2.
What are the key properties of 1-(2-benzhydryloxyethyl)-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine?
1-(2-benzhydryloxyethyl)-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine has a molecular weight of 432.58 g/mol, XLogP of 5.23, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydryloxyethyl)-N-[2-(4-fluorophenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 10836499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).