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

C27H30F2N2 — CID 19772037

IUPAC1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]methanamine
SMILESFc1ccc(CNC(c2ccc(F)cc2)C2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C27H30F2N2/c28-25-10-6-22(7-11-25)20-30-27(23-8-12-26(29)13-9-23)24-15-18-31(19-16-24)17-14-21-4-2-1-3-5-21/h1-13,24,27,30H,14-20H2
InChIKeyZJOSOKMRJKCLPT-UHFFFAOYSA-N
MW420.55 g/mol
LogP5.75
Rot. Bonds8

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

1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]methanamine (PubChem CID 19772037) has the molecular formula C27H30F2N2 and a molecular weight of 420.55 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]methanamine
PubChem CID19772037
Molecular FormulaC27H30F2N2
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]methanamine
SMILESFc1ccc(CNC(c2ccc(F)cc2)C2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C27H30F2N2/c28-25-10-6-22(7-11-25)20-30-27(23-8-12-26(29)13-9-23)24-15-18-31(19-16-24)17-14-21-4-2-1-3-5-21/h1-13,24,27,30H,14-20H2
InChIKeyZJOSOKMRJKCLPT-UHFFFAOYSA-N
XLogP5.75
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 ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-fluorophenyl)-[(4-fluorophenyl)methylamino]methyl]-N-methylpiperidine-1-carboxamide
CID 19772004
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 19771937
N-[(1-benzylpiperidin-4-yl)-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 19772041
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
carbamoyl-[(4-fluorophenyl)methyl]-[(4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methyl]-methylazanium
CID 19772092
1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 43768785
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770
(1S)-1-cyclobutyl-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 95598748
1-[4-[3-[4-[(4-fluorophenyl)-[(4-fluorophenyl)methylamino]methyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone;dihydrochloride
CID 19772078
bis(1-[4-[3-[4-[(4-fluorophenyl)-[(4-fluorophenyl)methylamino]methyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone);hydrate;tetrahydrochloride
CID 173253138
1-[4-[3-[4-[(4-fluorophenyl)-[(4-fluorophenyl)methylamino]methyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone;hydrate;dihydrochloride
CID 70083400
N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine
CID 71931133

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]methanamine (CID 19772037) is 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]methanamine is Fc1ccc(CNC(c2ccc(F)cc2)C2CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]methanamine?
The InChIKey is ZJOSOKMRJKCLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N2/c28-25-10-6-22(7-11-25)20-30-27(23-8-12-26(29)13-9-23)24-15-18-31(19-16-24)17-14-21-4-2-1-3-5-21/h1-13,24,27,30H,14-20H2.
What are the key properties of 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]methanamine?
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]methanamine has a molecular weight of 420.55 g/mol, XLogP of 5.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 19772037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).