N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(4-fluorophenyl)piperidin-4-amine

C18H26FN5 — CID 122563900

IUPACN-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(4-fluorophenyl)piperidin-4-amine
SMILESCCC(NC1CCN(c2ccc(F)cc2)CC1)c1ncnn1CC
InChIInChI=1S/C18H26FN5/c1-3-17(18-20-13-21-24(18)4-2)22-15-9-11-23(12-10-15)16-7-5-14(19)6-8-16/h5-8,13,15,17,22H,3-4,9-12H2,1-2H3
InChIKeyTZNPPDSTCQKVIQ-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.15
Rot. Bonds6

About N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(4-fluorophenyl)piperidin-4-amine

N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(4-fluorophenyl)piperidin-4-amine (PubChem CID 122563900) has the molecular formula C18H26FN5 and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(4-fluorophenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(4-fluorophenyl)piperidin-4-amine
PubChem CID122563900
Molecular FormulaC18H26FN5
Molecular Weight331.44 g/mol
Exact Mass331.22
IUPAC NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(4-fluorophenyl)piperidin-4-amine
SMILESCCC(NC1CCN(c2ccc(F)cc2)CC1)c1ncnn1CC
InChIInChI=1S/C18H26FN5/c1-3-17(18-20-13-21-24(18)4-2)22-15-9-11-23(12-10-15)16-7-5-14(19)6-8-16/h5-8,13,15,17,22H,3-4,9-12H2,1-2H3
InChIKeyTZNPPDSTCQKVIQ-UHFFFAOYSA-N
XLogP3.15
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(4-fluorophenyl)piperidin-4-amine?
The IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(4-fluorophenyl)piperidin-4-amine (CID 122563900) is N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(4-fluorophenyl)piperidin-4-amine.
What is the SMILES notation for N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(4-fluorophenyl)piperidin-4-amine?
The canonical SMILES for N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(4-fluorophenyl)piperidin-4-amine is CCC(NC1CCN(c2ccc(F)cc2)CC1)c1ncnn1CC.
What is the InChIKey of N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(4-fluorophenyl)piperidin-4-amine?
The InChIKey is TZNPPDSTCQKVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN5/c1-3-17(18-20-13-21-24(18)4-2)22-15-9-11-23(12-10-15)16-7-5-14(19)6-8-16/h5-8,13,15,17,22H,3-4,9-12H2,1-2H3.
What are the key properties of N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(4-fluorophenyl)piperidin-4-amine?
N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(4-fluorophenyl)piperidin-4-amine has a molecular weight of 331.44 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(4-fluorophenyl)piperidin-4-amine is sourced from PubChem (CID 122563900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).