4-fluoro-N-[(4-fluorophenyl)-[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methyl]aniline

C30H30F2N2O — CID 19772010

IUPAC4-fluoro-N-[(4-fluorophenyl)-[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methyl]aniline
SMILESFc1ccc(NC(c2ccc(F)cc2)C2CCN(CCOc3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C30H30F2N2O/c31-26-8-5-23(6-9-26)30(33-28-12-10-27(32)11-13-28)24-15-17-34(18-16-24)19-20-35-29-14-7-22-3-1-2-4-25(22)21-29/h1-14,21,24,30,33H,15-20H2
InChIKeyDLHRSRUGMZGGRA-UHFFFAOYSA-N
MW472.58 g/mol
LogP7.06
Rot. Bonds8

About 4-fluoro-N-[(4-fluorophenyl)-[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methyl]aniline

4-fluoro-N-[(4-fluorophenyl)-[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methyl]aniline (PubChem CID 19772010) has the molecular formula C30H30F2N2O and a molecular weight of 472.58 g/mol. Its IUPAC name is 4-fluoro-N-[(4-fluorophenyl)-[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(4-fluorophenyl)-[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methyl]aniline
PubChem CID19772010
Molecular FormulaC30H30F2N2O
Molecular Weight472.58 g/mol
Exact Mass472.23
IUPAC Name4-fluoro-N-[(4-fluorophenyl)-[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methyl]aniline
SMILESFc1ccc(NC(c2ccc(F)cc2)C2CCN(CCOc3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C30H30F2N2O/c31-26-8-5-23(6-9-26)30(33-28-12-10-27(32)11-13-28)24-15-17-34(18-16-24)19-20-35-29-14-7-22-3-1-2-4-25(22)21-29/h1-14,21,24,30,33H,15-20H2
InChIKeyDLHRSRUGMZGGRA-UHFFFAOYSA-N
XLogP7.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.58
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-fluorophenyl)-[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methyl]aniline?
The IUPAC name of 4-fluoro-N-[(4-fluorophenyl)-[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methyl]aniline (CID 19772010) is 4-fluoro-N-[(4-fluorophenyl)-[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methyl]aniline.
What is the SMILES notation for 4-fluoro-N-[(4-fluorophenyl)-[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methyl]aniline?
The canonical SMILES for 4-fluoro-N-[(4-fluorophenyl)-[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methyl]aniline is Fc1ccc(NC(c2ccc(F)cc2)C2CCN(CCOc3ccc4ccccc4c3)CC2)cc1.
What is the InChIKey of 4-fluoro-N-[(4-fluorophenyl)-[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methyl]aniline?
The InChIKey is DLHRSRUGMZGGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N2O/c31-26-8-5-23(6-9-26)30(33-28-12-10-27(32)11-13-28)24-15-17-34(18-16-24)19-20-35-29-14-7-22-3-1-2-4-25(22)21-29/h1-14,21,24,30,33H,15-20H2.
What are the key properties of 4-fluoro-N-[(4-fluorophenyl)-[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methyl]aniline?
4-fluoro-N-[(4-fluorophenyl)-[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methyl]aniline has a molecular weight of 472.58 g/mol, XLogP of 7.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-fluorophenyl)-[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methyl]aniline is sourced from PubChem (CID 19772010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).