N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,2-diphenylethanamine

C27H31FN2 — CID 10222781

IUPACN-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,2-diphenylethanamine
SMILESFc1ccc(CN2CCC(CNCC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C27H31FN2/c28-26-13-11-23(12-14-26)21-30-17-15-22(16-18-30)19-29-20-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27,29H,15-21H2
InChIKeyYKONJESBVFRUPH-UHFFFAOYSA-N
MW402.56 g/mol
LogP5.46
Rot. Bonds8

About N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,2-diphenylethanamine

N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,2-diphenylethanamine (PubChem CID 10222781) has the molecular formula C27H31FN2 and a molecular weight of 402.56 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,2-diphenylethanamine.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,2-diphenylethanamine
PubChem CID10222781
Molecular FormulaC27H31FN2
Molecular Weight402.56 g/mol
Exact Mass402.25
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,2-diphenylethanamine
SMILESFc1ccc(CN2CCC(CNCC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C27H31FN2/c28-26-13-11-23(12-14-26)21-30-17-15-22(16-18-30)19-29-20-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27,29H,15-21H2
InChIKeyYKONJESBVFRUPH-UHFFFAOYSA-N
XLogP5.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.56
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,2-diphenylethanamine?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,2-diphenylethanamine (CID 10222781) is N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,2-diphenylethanamine.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,2-diphenylethanamine?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,2-diphenylethanamine is Fc1ccc(CN2CCC(CNCC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,2-diphenylethanamine?
The InChIKey is YKONJESBVFRUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN2/c28-26-13-11-23(12-14-26)21-30-17-15-22(16-18-30)19-29-20-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27,29H,15-21H2.
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,2-diphenylethanamine?
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,2-diphenylethanamine has a molecular weight of 402.56 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,2-diphenylethanamine is sourced from PubChem (CID 10222781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).