1-[(3-bromophenyl)methyl]-N-(3-fluorophenyl)piperidin-4-amine

C18H20BrFN2 — CID 4541415

IUPAC1-[(3-bromophenyl)methyl]-N-(3-fluorophenyl)piperidin-4-amine
SMILESFc1cccc(NC2CCN(Cc3cccc(Br)c3)CC2)c1
InChIInChI=1S/C18H20BrFN2/c19-15-4-1-3-14(11-15)13-22-9-7-17(8-10-22)21-18-6-2-5-16(20)12-18/h1-6,11-12,17,21H,7-10,13H2
InChIKeyVRTRPVABFQEJBR-UHFFFAOYSA-N
MW363.27 g/mol
LogP4.66
Rot. Bonds4

About 1-[(3-bromophenyl)methyl]-N-(3-fluorophenyl)piperidin-4-amine

1-[(3-bromophenyl)methyl]-N-(3-fluorophenyl)piperidin-4-amine (PubChem CID 4541415) has the molecular formula C18H20BrFN2 and a molecular weight of 363.27 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-N-(3-fluorophenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-N-(3-fluorophenyl)piperidin-4-amine
PubChem CID4541415
Molecular FormulaC18H20BrFN2
Molecular Weight363.27 g/mol
Exact Mass362.08
IUPAC Name1-[(3-bromophenyl)methyl]-N-(3-fluorophenyl)piperidin-4-amine
SMILESFc1cccc(NC2CCN(Cc3cccc(Br)c3)CC2)c1
InChIInChI=1S/C18H20BrFN2/c19-15-4-1-3-14(11-15)13-22-9-7-17(8-10-22)21-18-6-2-5-16(20)12-18/h1-6,11-12,17,21H,7-10,13H2
InChIKeyVRTRPVABFQEJBR-UHFFFAOYSA-N
XLogP4.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.27
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 23741730
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N-(3-bromophenyl)-1-phenethyl-piperidin-4-amine
CID 52934003
N-benzyl-4-bromoaniline
CID 961575
1-benzyl-N-(2-fluorophenyl)piperidin-4-amine
CID 867403
N-Benzyl-3-bromoaniline
CID 9965096
1-benzyl-N-(4-fluorophenyl)piperidin-4-amine
CID 5109634
Despropionyl para-fluorofentanyl
CID 21812144
N-(3-bromobenzyl)-1-(2-phenylethyl)-4-piperidinamine
CID 6456385
N-(3-bromophenyl)-N'-{[1-(2-fluorobenzyl)piperidin-4-yl]methyl}urea
CID 22430489
1-(4-Bromophenyl)-1-(1-cyclopentylpiperidin-4-yl)-3-(4-fluorobenzyl)urea
CID 46884428

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-N-(3-fluorophenyl)piperidin-4-amine?
The IUPAC name of 1-[(3-bromophenyl)methyl]-N-(3-fluorophenyl)piperidin-4-amine (CID 4541415) is 1-[(3-bromophenyl)methyl]-N-(3-fluorophenyl)piperidin-4-amine.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-N-(3-fluorophenyl)piperidin-4-amine?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-N-(3-fluorophenyl)piperidin-4-amine is Fc1cccc(NC2CCN(Cc3cccc(Br)c3)CC2)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-N-(3-fluorophenyl)piperidin-4-amine?
The InChIKey is VRTRPVABFQEJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN2/c19-15-4-1-3-14(11-15)13-22-9-7-17(8-10-22)21-18-6-2-5-16(20)12-18/h1-6,11-12,17,21H,7-10,13H2.
What are the key properties of 1-[(3-bromophenyl)methyl]-N-(3-fluorophenyl)piperidin-4-amine?
1-[(3-bromophenyl)methyl]-N-(3-fluorophenyl)piperidin-4-amine has a molecular weight of 363.27 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-N-(3-fluorophenyl)piperidin-4-amine is sourced from PubChem (CID 4541415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).