1-(5-chloro-3-fluoro-2-pyridinyl)-4-cyclopentylpiperazine

C14H19ClFN3 — CID 79728091

IUPAC1-(5-chloro-3-fluoro-2-pyridinyl)-4-cyclopentylpiperazine
SMILESFc1cc(Cl)cnc1N1CCN(C2CCCC2)CC1
InChIInChI=1S/C14H19ClFN3/c15-11-9-13(16)14(17-10-11)19-7-5-18(6-8-19)12-3-1-2-4-12/h9-10,12H,1-8H2
InChIKeyNBMUQEUAUJEWCJ-UHFFFAOYSA-N
MW283.78 g/mol
LogP2.94
Rot. Bonds2

About 1-(5-chloro-3-fluoro-2-pyridinyl)-4-cyclopentylpiperazine

1-(5-chloro-3-fluoro-2-pyridinyl)-4-cyclopentylpiperazine (PubChem CID 79728091) has the molecular formula C14H19ClFN3 and a molecular weight of 283.78 g/mol. Its IUPAC name is 1-(5-chloro-3-fluoro-2-pyridinyl)-4-cyclopentylpiperazine.

Molecular Properties

Compound Name1-(5-chloro-3-fluoro-2-pyridinyl)-4-cyclopentylpiperazine
PubChem CID79728091
Molecular FormulaC14H19ClFN3
Molecular Weight283.78 g/mol
Exact Mass283.13
IUPAC Name1-(5-chloro-3-fluoro-2-pyridinyl)-4-cyclopentylpiperazine
SMILESFc1cc(Cl)cnc1N1CCN(C2CCCC2)CC1
InChIInChI=1S/C14H19ClFN3/c15-11-9-13(16)14(17-10-11)19-7-5-18(6-8-19)12-3-1-2-4-12/h9-10,12H,1-8H2
InChIKeyNBMUQEUAUJEWCJ-UHFFFAOYSA-N
XLogP2.94
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-fluoro-2-pyridinyl)-4-cyclopentylpiperazine?
The IUPAC name of 1-(5-chloro-3-fluoro-2-pyridinyl)-4-cyclopentylpiperazine (CID 79728091) is 1-(5-chloro-3-fluoro-2-pyridinyl)-4-cyclopentylpiperazine.
What is the SMILES notation for 1-(5-chloro-3-fluoro-2-pyridinyl)-4-cyclopentylpiperazine?
The canonical SMILES for 1-(5-chloro-3-fluoro-2-pyridinyl)-4-cyclopentylpiperazine is Fc1cc(Cl)cnc1N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(5-chloro-3-fluoro-2-pyridinyl)-4-cyclopentylpiperazine?
The InChIKey is NBMUQEUAUJEWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3/c15-11-9-13(16)14(17-10-11)19-7-5-18(6-8-19)12-3-1-2-4-12/h9-10,12H,1-8H2.
What are the key properties of 1-(5-chloro-3-fluoro-2-pyridinyl)-4-cyclopentylpiperazine?
1-(5-chloro-3-fluoro-2-pyridinyl)-4-cyclopentylpiperazine has a molecular weight of 283.78 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-fluoro-2-pyridinyl)-4-cyclopentylpiperazine is sourced from PubChem (CID 79728091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).