1,1-bis(4-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanamine

C27H30F2N2 — CID 10693444

IUPAC1,1-bis(4-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanamine
SMILESFc1ccc(C(NCC2CCN(CCc3ccccc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H30F2N2/c28-25-10-6-23(7-11-25)27(24-8-12-26(29)13-9-24)30-20-22-15-18-31(19-16-22)17-14-21-4-2-1-3-5-21/h1-13,22,27,30H,14-20H2
InChIKeyLNLLTFKWNPVQFV-UHFFFAOYSA-N
MW420.55 g/mol
LogP5.60
Rot. Bonds8

About 1,1-bis(4-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanamine

1,1-bis(4-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanamine (PubChem CID 10693444) has the molecular formula C27H30F2N2 and a molecular weight of 420.55 g/mol. Its IUPAC name is 1,1-bis(4-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1,1-bis(4-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanamine
PubChem CID10693444
Molecular FormulaC27H30F2N2
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name1,1-bis(4-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanamine
SMILESFc1ccc(C(NCC2CCN(CCc3ccccc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H30F2N2/c28-25-10-6-23(7-11-25)27(24-8-12-26(29)13-9-24)30-20-22-15-18-31(19-16-22)17-14-21-4-2-1-3-5-21/h1-13,22,27,30H,14-20H2
InChIKeyLNLLTFKWNPVQFV-UHFFFAOYSA-N
XLogP5.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.55
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanamine?
The IUPAC name of 1,1-bis(4-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanamine (CID 10693444) is 1,1-bis(4-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanamine.
What is the SMILES notation for 1,1-bis(4-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanamine?
The canonical SMILES for 1,1-bis(4-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanamine is Fc1ccc(C(NCC2CCN(CCc3ccccc3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1,1-bis(4-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanamine?
The InChIKey is LNLLTFKWNPVQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N2/c28-25-10-6-23(7-11-25)27(24-8-12-26(29)13-9-24)30-20-22-15-18-31(19-16-22)17-14-21-4-2-1-3-5-21/h1-13,22,27,30H,14-20H2.
What are the key properties of 1,1-bis(4-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanamine?
1,1-bis(4-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanamine has a molecular weight of 420.55 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanamine is sourced from PubChem (CID 10693444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).