1-[2-(difluoromethoxy)-3-pyridinyl]piperazine

C10H13F2N3O — CID 139512635

IUPAC1-[2-(difluoromethoxy)-3-pyridinyl]piperazine
SMILESFC(F)Oc1ncccc1N1CCNCC1
InChIInChI=1S/C10H13F2N3O/c11-10(12)16-9-8(2-1-3-14-9)15-6-4-13-5-7-15/h1-3,10,13H,4-7H2
InChIKeyULOMGJQTSGWPKI-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.09
Rot. Bonds3

About 1-[2-(difluoromethoxy)-3-pyridinyl]piperazine

1-[2-(difluoromethoxy)-3-pyridinyl]piperazine (PubChem CID 139512635) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-3-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-3-pyridinyl]piperazine
PubChem CID139512635
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name1-[2-(difluoromethoxy)-3-pyridinyl]piperazine
SMILESFC(F)Oc1ncccc1N1CCNCC1
InChIInChI=1S/C10H13F2N3O/c11-10(12)16-9-8(2-1-3-14-9)15-6-4-13-5-7-15/h1-3,10,13H,4-7H2
InChIKeyULOMGJQTSGWPKI-UHFFFAOYSA-N
XLogP1.09
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-3-pyridinyl)piperazine;dihydrochloride
CID 70057644
1-[2-[2-[(2-methylsulfanyl-3-pyridinyl)oxy]ethoxy]-3-pyridinyl]piperazine
CID 139939327
5-piperazin-1-ylquinoline
CID 10656226
2-[(2-piperazin-1-ylphenoxy)methyl]pyrimidine
CID 62700527
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
1-[2-(2-phenylethyl)-3-pyridinyl]piperazine
CID 173128049
4-piperazin-1-yl-1,5-naphthyridine
CID 57013367
8-piperazin-1-yl-6-propan-2-yloxyquinoline
CID 141025373
(2-piperazin-1-yl-3-pyridinyl)boronic acid
CID 53445093
tert-butyl formate;1-(2-methyl-3-pyridinyl)piperazine
CID 174649471
1-(3-methyl-2-pyridinyl)piperazine
CID 2760057
2-(difluoromethoxy)-3-(4-pyrrolidin-3-ylpiperazin-1-yl)pyrazine
CID 128843179

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-3-pyridinyl]piperazine?
The IUPAC name of 1-[2-(difluoromethoxy)-3-pyridinyl]piperazine (CID 139512635) is 1-[2-(difluoromethoxy)-3-pyridinyl]piperazine.
What is the SMILES notation for 1-[2-(difluoromethoxy)-3-pyridinyl]piperazine?
The canonical SMILES for 1-[2-(difluoromethoxy)-3-pyridinyl]piperazine is FC(F)Oc1ncccc1N1CCNCC1.
What is the InChIKey of 1-[2-(difluoromethoxy)-3-pyridinyl]piperazine?
The InChIKey is ULOMGJQTSGWPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c11-10(12)16-9-8(2-1-3-14-9)15-6-4-13-5-7-15/h1-3,10,13H,4-7H2.
What are the key properties of 1-[2-(difluoromethoxy)-3-pyridinyl]piperazine?
1-[2-(difluoromethoxy)-3-pyridinyl]piperazine has a molecular weight of 229.23 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-3-pyridinyl]piperazine is sourced from PubChem (CID 139512635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).