[1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

C18H27FN4O2 — CID 89487858

IUPAC[1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3ccc(F)cn3)CC2)CC1
InChIInChI=1S/C18H27FN4O2/c1-14(2)21-9-11-23(12-10-21)18(24)25-16-5-7-22(8-6-16)17-4-3-15(19)13-20-17/h3-4,13-14,16H,5-12H2,1-2H3
InChIKeyDPFVWGHJEXHHHO-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.35
Rot. Bonds3

About [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

[1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 89487858) has the molecular formula C18H27FN4O2 and a molecular weight of 350.44 g/mol. Its IUPAC name is [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID89487858
Molecular FormulaC18H27FN4O2
Molecular Weight350.44 g/mol
Exact Mass350.21
IUPAC Name[1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3ccc(F)cn3)CC2)CC1
InChIInChI=1S/C18H27FN4O2/c1-14(2)21-9-11-23(12-10-21)18(24)25-16-5-7-22(8-6-16)17-4-3-15(19)13-20-17/h3-4,13-14,16H,5-12H2,1-2H3
InChIKeyDPFVWGHJEXHHHO-UHFFFAOYSA-N
XLogP2.35
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Propiram
CID 26216
Ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate
CID 2928555
2-[4-[4-(3-Fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione
CID 118713100
Tert-butyl 4-(1-(pyridin-2-yl)piperidin-4-yl)piperidine-1-carboxylate
CID 54587812
[1-[6-(Trifluoromethyl)pyridin-2-yl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 71522477
(1-Pyridin-2-ylpiperidin-4-yl) 4-cyclobutylpiperazine-1-carboxylate
CID 89487613
[1-[5-(2-Oxopyrrolidin-1-yl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 89487796
[1-(5-Fluoro-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 89487906
N-methyl-N-phenyl-4-(2-pyridinyl)-1-piperazinecarboxamide
CID 969696
Methyl 2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3234757
2-[4-[4-(5-Fluoro-2-pyridinyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione
CID 118713099
[1-(6-Isocyano-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 122198058

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 89487858) is [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is CC(C)N1CCN(C(=O)OC2CCN(c3ccc(F)cn3)CC2)CC1.
What is the InChIKey of [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is DPFVWGHJEXHHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN4O2/c1-14(2)21-9-11-23(12-10-21)18(24)25-16-5-7-22(8-6-16)17-4-3-15(19)13-20-17/h3-4,13-14,16H,5-12H2,1-2H3.
What are the key properties of [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 350.44 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 89487858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).