4-(4-benzylpiperidin-1-yl)-3-fluoroaniline

C18H21FN2 — CID 43346322

IUPAC4-(4-benzylpiperidin-1-yl)-3-fluoroaniline
SMILESNc1ccc(N2CCC(Cc3ccccc3)CC2)c(F)c1
InChIInChI=1S/C18H21FN2/c19-17-13-16(20)6-7-18(17)21-10-8-15(9-11-21)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12,20H2
InChIKeyKYOPVIOOKIBDFZ-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.87
Rot. Bonds3

About 4-(4-benzylpiperidin-1-yl)-3-fluoroaniline

4-(4-benzylpiperidin-1-yl)-3-fluoroaniline (PubChem CID 43346322) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-3-fluoroaniline.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-3-fluoroaniline
PubChem CID43346322
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name4-(4-benzylpiperidin-1-yl)-3-fluoroaniline
SMILESNc1ccc(N2CCC(Cc3ccccc3)CC2)c(F)c1
InChIInChI=1S/C18H21FN2/c19-17-13-16(20)6-7-18(17)21-10-8-15(9-11-21)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12,20H2
InChIKeyKYOPVIOOKIBDFZ-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-3-fluoroaniline?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-3-fluoroaniline (CID 43346322) is 4-(4-benzylpiperidin-1-yl)-3-fluoroaniline.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-3-fluoroaniline?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-3-fluoroaniline is Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(F)c1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-3-fluoroaniline?
The InChIKey is KYOPVIOOKIBDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c19-17-13-16(20)6-7-18(17)21-10-8-15(9-11-21)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12,20H2.
What are the key properties of 4-(4-benzylpiperidin-1-yl)-3-fluoroaniline?
4-(4-benzylpiperidin-1-yl)-3-fluoroaniline has a molecular weight of 284.38 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-3-fluoroaniline is sourced from PubChem (CID 43346322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).