1-benzyl-4-(2,5-difluorophenyl)piperidin-4-amine

C18H20F2N2 — CID 164862876

IUPAC1-benzyl-4-(2,5-difluorophenyl)piperidin-4-amine
SMILESNC1(c2cc(F)ccc2F)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H20F2N2/c19-15-6-7-17(20)16(12-15)18(21)8-10-22(11-9-18)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13,21H2
InChIKeyVMZZYAYUHRUUOS-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.41
Rot. Bonds3

About 1-benzyl-4-(2,5-difluorophenyl)piperidin-4-amine

1-benzyl-4-(2,5-difluorophenyl)piperidin-4-amine (PubChem CID 164862876) has the molecular formula C18H20F2N2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-benzyl-4-(2,5-difluorophenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-4-(2,5-difluorophenyl)piperidin-4-amine
PubChem CID164862876
Molecular FormulaC18H20F2N2
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-benzyl-4-(2,5-difluorophenyl)piperidin-4-amine
SMILESNC1(c2cc(F)ccc2F)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H20F2N2/c19-15-6-7-17(20)16(12-15)18(21)8-10-22(11-9-18)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13,21H2
InChIKeyVMZZYAYUHRUUOS-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)cyclopentan-1-amine
CID 62802401
1-benzyl-3-[2-[(2,5-difluorophenyl)methyl]phenyl]pyrrolidin-3-ol;hydrobromide
CID 12804773
1-benzyl-3-(2-fluorophenyl)piperidin-3-amine
CID 130137252
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
1-benzyl-4-(4-bromophenyl)piperidin-4-amine
CID 72698436
1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol
CID 139966182
1-benzyl-4-(2,4-difluorophenyl)piperazine
CID 110454865
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
2-benzyl-5-fluoro-1,3-dihydroisoindole;hydrochloride
CID 162343848
1-benzyl-4-(4-chlorophenyl)-4-fluoropiperidine
CID 18675820
1-(1'-benzyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-3,3-dimethylbutan-1-one
CID 23760772
(2R,3S)-5-benzyl-2-(2,4-difluorophenyl)-5-azaspiro[2.4]heptane
CID 121314970

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2,5-difluorophenyl)piperidin-4-amine?
The IUPAC name of 1-benzyl-4-(2,5-difluorophenyl)piperidin-4-amine (CID 164862876) is 1-benzyl-4-(2,5-difluorophenyl)piperidin-4-amine.
What is the SMILES notation for 1-benzyl-4-(2,5-difluorophenyl)piperidin-4-amine?
The canonical SMILES for 1-benzyl-4-(2,5-difluorophenyl)piperidin-4-amine is NC1(c2cc(F)ccc2F)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(2,5-difluorophenyl)piperidin-4-amine?
The InChIKey is VMZZYAYUHRUUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2/c19-15-6-7-17(20)16(12-15)18(21)8-10-22(11-9-18)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13,21H2.
What are the key properties of 1-benzyl-4-(2,5-difluorophenyl)piperidin-4-amine?
1-benzyl-4-(2,5-difluorophenyl)piperidin-4-amine has a molecular weight of 302.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2,5-difluorophenyl)piperidin-4-amine is sourced from PubChem (CID 164862876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).