1-[2-[2-(difluoromethyl)-3-pyridinyl]ethyl]piperazine

C12H17F2N3 — CID 84702608

IUPAC1-[2-[2-(difluoromethyl)-3-pyridinyl]ethyl]piperazine
SMILESFC(F)c1ncccc1CCN1CCNCC1
InChIInChI=1S/C12H17F2N3/c13-12(14)11-10(2-1-4-16-11)3-7-17-8-5-15-6-9-17/h1-2,4,12,15H,3,5-9H2
InChIKeyJWQQLBOLRKWUFZ-UHFFFAOYSA-N
MW241.28 g/mol
LogP1.47
Rot. Bonds4

About 1-[2-[2-(difluoromethyl)-3-pyridinyl]ethyl]piperazine

1-[2-[2-(difluoromethyl)-3-pyridinyl]ethyl]piperazine (PubChem CID 84702608) has the molecular formula C12H17F2N3 and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-[2-[2-(difluoromethyl)-3-pyridinyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[2-(difluoromethyl)-3-pyridinyl]ethyl]piperazine
PubChem CID84702608
Molecular FormulaC12H17F2N3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC Name1-[2-[2-(difluoromethyl)-3-pyridinyl]ethyl]piperazine
SMILESFC(F)c1ncccc1CCN1CCNCC1
InChIInChI=1S/C12H17F2N3/c13-12(14)11-10(2-1-4-16-11)3-7-17-8-5-15-6-9-17/h1-2,4,12,15H,3,5-9H2
InChIKeyJWQQLBOLRKWUFZ-UHFFFAOYSA-N
XLogP1.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(difluoromethyl)-3-methoxyphenyl]ethyl]piperazine
CID 117429080
1-[2-(2-propan-2-ylphenyl)ethyl]piperazine
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1-[2-[4-(difluoromethyl)phenyl]ethyl]piperazine
CID 84701965
8-(2-methylpropoxy)-5-(2-piperazin-1-ylethyl)quinoline
CID 96709857
1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine
CID 117436770
1-[(2-chloro-3-pyridinyl)methyl]piperazine
CID 62471076
5-(2-piperazin-1-ylethyl)isoquinoline
CID 117355834
1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine
CID 117379867
1-(2-pyridin-2-ylethyl)-1,4-diazepane
CID 8022497
1-[2-[2-chloro-4-(1-fluoroethyl)phenyl]ethyl]piperazine
CID 117430146
1-[2-(2-piperazin-1-ylethyl)phenyl]ethane-1,2-diol
CID 117379674
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(difluoromethyl)-3-pyridinyl]ethyl]piperazine?
The IUPAC name of 1-[2-[2-(difluoromethyl)-3-pyridinyl]ethyl]piperazine (CID 84702608) is 1-[2-[2-(difluoromethyl)-3-pyridinyl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[2-(difluoromethyl)-3-pyridinyl]ethyl]piperazine?
The canonical SMILES for 1-[2-[2-(difluoromethyl)-3-pyridinyl]ethyl]piperazine is FC(F)c1ncccc1CCN1CCNCC1.
What is the InChIKey of 1-[2-[2-(difluoromethyl)-3-pyridinyl]ethyl]piperazine?
The InChIKey is JWQQLBOLRKWUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3/c13-12(14)11-10(2-1-4-16-11)3-7-17-8-5-15-6-9-17/h1-2,4,12,15H,3,5-9H2.
What are the key properties of 1-[2-[2-(difluoromethyl)-3-pyridinyl]ethyl]piperazine?
1-[2-[2-(difluoromethyl)-3-pyridinyl]ethyl]piperazine has a molecular weight of 241.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(difluoromethyl)-3-pyridinyl]ethyl]piperazine is sourced from PubChem (CID 84702608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).