4-fluoro-N-[(4-fluorophenyl)-piperidin-4-ylmethyl]aniline

C18H20F2N2 — CID 19771957

IUPAC4-fluoro-N-[(4-fluorophenyl)-piperidin-4-ylmethyl]aniline
SMILESFc1ccc(NC(c2ccc(F)cc2)C2CCNCC2)cc1
InChIInChI=1S/C18H20F2N2/c19-15-3-1-13(2-4-15)18(14-9-11-21-12-10-14)22-17-7-5-16(20)6-8-17/h1-8,14,18,21-22H,9-12H2
InChIKeyRQJPBYUVZQGLIW-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.12
Rot. Bonds4

About 4-fluoro-N-[(4-fluorophenyl)-piperidin-4-ylmethyl]aniline

4-fluoro-N-[(4-fluorophenyl)-piperidin-4-ylmethyl]aniline (PubChem CID 19771957) has the molecular formula C18H20F2N2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-fluoro-N-[(4-fluorophenyl)-piperidin-4-ylmethyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(4-fluorophenyl)-piperidin-4-ylmethyl]aniline
PubChem CID19771957
Molecular FormulaC18H20F2N2
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name4-fluoro-N-[(4-fluorophenyl)-piperidin-4-ylmethyl]aniline
SMILESFc1ccc(NC(c2ccc(F)cc2)C2CCNCC2)cc1
InChIInChI=1S/C18H20F2N2/c19-15-3-1-13(2-4-15)18(14-9-11-21-12-10-14)22-17-7-5-16(20)6-8-17/h1-8,14,18,21-22H,9-12H2
InChIKeyRQJPBYUVZQGLIW-UHFFFAOYSA-N
XLogP4.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43763011
N-[cyclopropyl-(4-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 43760606
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 19771937
4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorophenol
CID 64794069
4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidine-1-carboximidamide
CID 19772106
N-[(1-benzylpiperidin-4-yl)-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 19772041
3-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylaniline
CID 43757451
5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorobenzonitrile
CID 62317514
1-cyclobutyl-1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)methanamine
CID 119932506
[4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidin-1-yl]-phenylmethanone
CID 19771949
N-[cyclopropyl-(4-fluorophenyl)methyl]-1-methylpyrazol-4-amine
CID 43776718
4-[(S)-(4-fluorophenyl)-phenylmethyl]piperidine
CID 139510512

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-fluorophenyl)-piperidin-4-ylmethyl]aniline?
The IUPAC name of 4-fluoro-N-[(4-fluorophenyl)-piperidin-4-ylmethyl]aniline (CID 19771957) is 4-fluoro-N-[(4-fluorophenyl)-piperidin-4-ylmethyl]aniline.
What is the SMILES notation for 4-fluoro-N-[(4-fluorophenyl)-piperidin-4-ylmethyl]aniline?
The canonical SMILES for 4-fluoro-N-[(4-fluorophenyl)-piperidin-4-ylmethyl]aniline is Fc1ccc(NC(c2ccc(F)cc2)C2CCNCC2)cc1.
What is the InChIKey of 4-fluoro-N-[(4-fluorophenyl)-piperidin-4-ylmethyl]aniline?
The InChIKey is RQJPBYUVZQGLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2/c19-15-3-1-13(2-4-15)18(14-9-11-21-12-10-14)22-17-7-5-16(20)6-8-17/h1-8,14,18,21-22H,9-12H2.
What are the key properties of 4-fluoro-N-[(4-fluorophenyl)-piperidin-4-ylmethyl]aniline?
4-fluoro-N-[(4-fluorophenyl)-piperidin-4-ylmethyl]aniline has a molecular weight of 302.37 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-fluorophenyl)-piperidin-4-ylmethyl]aniline is sourced from PubChem (CID 19771957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).