N-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-N-methylaniline

C28H32F2N2 — CID 15093876

IUPACN-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-N-methylaniline
SMILESCN(CCCN1CCC(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C28H32F2N2/c1-31(27-6-3-2-4-7-27)18-5-19-32-20-16-24(17-21-32)28(22-8-12-25(29)13-9-22)23-10-14-26(30)15-11-23/h2-4,6-15,24,28H,5,16-21H2,1H3
InChIKeyBMRARLJDLIUFPA-UHFFFAOYSA-N
MW434.57 g/mol
LogP6.34
Rot. Bonds8

About N-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-N-methylaniline

N-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-N-methylaniline (PubChem CID 15093876) has the molecular formula C28H32F2N2 and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-N-methylaniline.

Molecular Properties

Compound NameN-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-N-methylaniline
PubChem CID15093876
Molecular FormulaC28H32F2N2
Molecular Weight434.57 g/mol
Exact Mass434.25
IUPAC NameN-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-N-methylaniline
SMILESCN(CCCN1CCC(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C28H32F2N2/c1-31(27-6-3-2-4-7-27)18-5-19-32-20-16-24(17-21-32)28(22-8-12-25(29)13-9-22)23-10-14-26(30)15-11-23/h2-4,6-15,24,28H,5,16-21H2,1H3
InChIKeyBMRARLJDLIUFPA-UHFFFAOYSA-N
XLogP6.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.57
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-N-methylaniline?
The IUPAC name of N-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-N-methylaniline (CID 15093876) is N-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-N-methylaniline.
What is the SMILES notation for N-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-N-methylaniline?
The canonical SMILES for N-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-N-methylaniline is CN(CCCN1CCC(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of N-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-N-methylaniline?
The InChIKey is BMRARLJDLIUFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F2N2/c1-31(27-6-3-2-4-7-27)18-5-19-32-20-16-24(17-21-32)28(22-8-12-25(29)13-9-22)23-10-14-26(30)15-11-23/h2-4,6-15,24,28H,5,16-21H2,1H3.
What are the key properties of N-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-N-methylaniline?
N-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-N-methylaniline has a molecular weight of 434.57 g/mol, XLogP of 6.34, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-N-methylaniline is sourced from PubChem (CID 15093876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).