(3R)-1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperazine

C11H15F2N3 — CID 144656704

IUPAC(3R)-1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperazine
SMILESCC[C@@H]1CN(c2ncc(F)cc2F)CCN1
InChIInChI=1S/C11H15F2N3/c1-2-9-7-16(4-3-14-9)11-10(13)5-8(12)6-15-11/h5-6,9,14H,2-4,7H2,1H3/t9-/m1/s1
InChIKeyCCXAITWZWPFBDH-SECBINFHSA-N
MW227.26 g/mol
LogP1.55
Rot. Bonds2

About (3R)-1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperazine

(3R)-1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperazine (PubChem CID 144656704) has the molecular formula C11H15F2N3 and a molecular weight of 227.26 g/mol. Its IUPAC name is (3R)-1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperazine.

Molecular Properties

Compound Name(3R)-1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperazine
PubChem CID144656704
Molecular FormulaC11H15F2N3
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name(3R)-1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperazine
SMILESCC[C@@H]1CN(c2ncc(F)cc2F)CCN1
InChIInChI=1S/C11H15F2N3/c1-2-9-7-16(4-3-14-9)11-10(13)5-8(12)6-15-11/h5-6,9,14H,2-4,7H2,1H3/t9-/m1/s1
InChIKeyCCXAITWZWPFBDH-SECBINFHSA-N
XLogP1.55
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperidin-4-amine
CID 112676232
1-(2,5-difluorophenyl)-3-ethylpiperazine
CID 64925171
methyl 5-chloro-6-[(3S)-3-ethylpiperazin-1-yl]pyridine-3-carboxylate
CID 59772633
1-[(3S)-3-ethylpiperazin-1-yl]-4-(4-fluorophenyl)phthalazine
CID 58379014
3-ethyl-1-(2-fluorophenyl)piperazine
CID 64924612
3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine
CID 64925990
(3R)-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine
CID 129105387
3-ethyl-1-(2,3,4,5,6-pentafluorophenyl)piperazine
CID 115565133
(3S)-1-(3-fluoro-5-nitro-2-pyridinyl)-3-methylpiperazine
CID 177354867
2-[1-(3,5-difluoro-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 114799515
2-(3-ethylpiperazin-1-yl)pyridine-3-carbonitrile
CID 167849231
2-[(3R)-3-ethylpiperazin-1-yl]quinoxaline
CID 129409830

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperazine?
The IUPAC name of (3R)-1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperazine (CID 144656704) is (3R)-1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperazine.
What is the SMILES notation for (3R)-1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperazine?
The canonical SMILES for (3R)-1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperazine is CC[C@@H]1CN(c2ncc(F)cc2F)CCN1.
What is the InChIKey of (3R)-1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperazine?
The InChIKey is CCXAITWZWPFBDH-SECBINFHSA-N. The full InChI is InChI=1S/C11H15F2N3/c1-2-9-7-16(4-3-14-9)11-10(13)5-8(12)6-15-11/h5-6,9,14H,2-4,7H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperazine?
(3R)-1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperazine has a molecular weight of 227.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperazine is sourced from PubChem (CID 144656704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).