propan-2-yl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate

C19H22FN3O2 — CID 1483238

IUPACpropan-2-yl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate
SMILESCC(C)OC(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C19H22FN3O2/c1-14(2)25-19(24)15-3-8-18(21-13-15)23-11-9-22(10-12-23)17-6-4-16(20)5-7-17/h3-8,13-14H,9-12H2,1-2H3
InChIKeyUYMAPDCTHVNNJK-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.11
Rot. Bonds4

About propan-2-yl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate

propan-2-yl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate (PubChem CID 1483238) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is propan-2-yl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate
PubChem CID1483238
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Namepropan-2-yl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate
SMILESCC(C)OC(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C19H22FN3O2/c1-14(2)25-19(24)15-3-8-18(21-13-15)23-11-9-22(10-12-23)17-6-4-16(20)5-7-17/h3-8,13-14H,9-12H2,1-2H3
InChIKeyUYMAPDCTHVNNJK-UHFFFAOYSA-N
XLogP3.11
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate (CID 1483238) is propan-2-yl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate is CC(C)OC(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)nc1.
What is the InChIKey of propan-2-yl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate?
The InChIKey is UYMAPDCTHVNNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-14(2)25-19(24)15-3-8-18(21-13-15)23-11-9-22(10-12-23)17-6-4-16(20)5-7-17/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of propan-2-yl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate?
propan-2-yl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate has a molecular weight of 343.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 1483238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).