1-benzyl-4-(3-fluorophenyl)piperidin-4-amine

C18H21FN2 — CID 68830271

IUPAC1-benzyl-4-(3-fluorophenyl)piperidin-4-amine
SMILESNC1(c2cccc(F)c2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H21FN2/c19-17-8-4-7-16(13-17)18(20)9-11-21(12-10-18)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14,20H2
InChIKeyKQRYTIGGLKUVBJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.28
Rot. Bonds3

About 1-benzyl-4-(3-fluorophenyl)piperidin-4-amine

1-benzyl-4-(3-fluorophenyl)piperidin-4-amine (PubChem CID 68830271) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-benzyl-4-(3-fluorophenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-4-(3-fluorophenyl)piperidin-4-amine
PubChem CID68830271
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name1-benzyl-4-(3-fluorophenyl)piperidin-4-amine
SMILESNC1(c2cccc(F)c2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H21FN2/c19-17-8-4-7-16(13-17)18(20)9-11-21(12-10-18)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14,20H2
InChIKeyKQRYTIGGLKUVBJ-UHFFFAOYSA-N
XLogP3.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-fluorophenyl)piperidin-4-amine?
The IUPAC name of 1-benzyl-4-(3-fluorophenyl)piperidin-4-amine (CID 68830271) is 1-benzyl-4-(3-fluorophenyl)piperidin-4-amine.
What is the SMILES notation for 1-benzyl-4-(3-fluorophenyl)piperidin-4-amine?
The canonical SMILES for 1-benzyl-4-(3-fluorophenyl)piperidin-4-amine is NC1(c2cccc(F)c2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(3-fluorophenyl)piperidin-4-amine?
The InChIKey is KQRYTIGGLKUVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c19-17-8-4-7-16(13-17)18(20)9-11-21(12-10-18)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14,20H2.
What are the key properties of 1-benzyl-4-(3-fluorophenyl)piperidin-4-amine?
1-benzyl-4-(3-fluorophenyl)piperidin-4-amine has a molecular weight of 284.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-fluorophenyl)piperidin-4-amine is sourced from PubChem (CID 68830271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).