N,N-dibenzyl-3-(4-fluoropiperidin-4-yl)aniline

C25H27FN2 — CID 67464194

IUPACN,N-dibenzyl-3-(4-fluoropiperidin-4-yl)aniline
SMILESFC1(c2cccc(N(Cc3ccccc3)Cc3ccccc3)c2)CCNCC1
InChIInChI=1S/C25H27FN2/c26-25(14-16-27-17-15-25)23-12-7-13-24(18-23)28(19-21-8-3-1-4-9-21)20-22-10-5-2-6-11-22/h1-13,18,27H,14-17,19-20H2
InChIKeyYPQVQPIQWYCKAL-UHFFFAOYSA-N
MW374.50 g/mol
LogP5.44
Rot. Bonds6

About N,N-dibenzyl-3-(4-fluoropiperidin-4-yl)aniline

N,N-dibenzyl-3-(4-fluoropiperidin-4-yl)aniline (PubChem CID 67464194) has the molecular formula C25H27FN2 and a molecular weight of 374.50 g/mol. Its IUPAC name is N,N-dibenzyl-3-(4-fluoropiperidin-4-yl)aniline.

Molecular Properties

Compound NameN,N-dibenzyl-3-(4-fluoropiperidin-4-yl)aniline
PubChem CID67464194
Molecular FormulaC25H27FN2
Molecular Weight374.50 g/mol
Exact Mass374.22
IUPAC NameN,N-dibenzyl-3-(4-fluoropiperidin-4-yl)aniline
SMILESFC1(c2cccc(N(Cc3ccccc3)Cc3ccccc3)c2)CCNCC1
InChIInChI=1S/C25H27FN2/c26-25(14-16-27-17-15-25)23-12-7-13-24(18-23)28(19-21-8-3-1-4-9-21)20-22-10-5-2-6-11-22/h1-13,18,27H,14-17,19-20H2
InChIKeyYPQVQPIQWYCKAL-UHFFFAOYSA-N
XLogP5.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.50
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-(4-fluoropiperidin-4-yl)aniline?
The IUPAC name of N,N-dibenzyl-3-(4-fluoropiperidin-4-yl)aniline (CID 67464194) is N,N-dibenzyl-3-(4-fluoropiperidin-4-yl)aniline.
What is the SMILES notation for N,N-dibenzyl-3-(4-fluoropiperidin-4-yl)aniline?
The canonical SMILES for N,N-dibenzyl-3-(4-fluoropiperidin-4-yl)aniline is FC1(c2cccc(N(Cc3ccccc3)Cc3ccccc3)c2)CCNCC1.
What is the InChIKey of N,N-dibenzyl-3-(4-fluoropiperidin-4-yl)aniline?
The InChIKey is YPQVQPIQWYCKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2/c26-25(14-16-27-17-15-25)23-12-7-13-24(18-23)28(19-21-8-3-1-4-9-21)20-22-10-5-2-6-11-22/h1-13,18,27H,14-17,19-20H2.
What are the key properties of N,N-dibenzyl-3-(4-fluoropiperidin-4-yl)aniline?
N,N-dibenzyl-3-(4-fluoropiperidin-4-yl)aniline has a molecular weight of 374.50 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-(4-fluoropiperidin-4-yl)aniline is sourced from PubChem (CID 67464194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).