(2R)-4-(5-fluoro-2,3-dihydropyridin-2-yl)-1,2-dimethylpiperazine

C11H18FN3 — CID 144656714

IUPAC(2R)-4-(5-fluoro-2,3-dihydropyridin-2-yl)-1,2-dimethylpiperazine
SMILESC[C@@H]1CN(C2CC=C(F)C=N2)CCN1C
InChIInChI=1S/C11H18FN3/c1-9-8-15(6-5-14(9)2)11-4-3-10(12)7-13-11/h3,7,9,11H,4-6,8H2,1-2H3/t9-,11?/m1/s1
InChIKeyMPJNSGCWRNRAKI-BFHBGLAWSA-N
MW211.28 g/mol
LogP1.28
Rot. Bonds1

About (2R)-4-(5-fluoro-2,3-dihydropyridin-2-yl)-1,2-dimethylpiperazine

(2R)-4-(5-fluoro-2,3-dihydropyridin-2-yl)-1,2-dimethylpiperazine (PubChem CID 144656714) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is (2R)-4-(5-fluoro-2,3-dihydropyridin-2-yl)-1,2-dimethylpiperazine.

Molecular Properties

Compound Name(2R)-4-(5-fluoro-2,3-dihydropyridin-2-yl)-1,2-dimethylpiperazine
PubChem CID144656714
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name(2R)-4-(5-fluoro-2,3-dihydropyridin-2-yl)-1,2-dimethylpiperazine
SMILESC[C@@H]1CN(C2CC=C(F)C=N2)CCN1C
InChIInChI=1S/C11H18FN3/c1-9-8-15(6-5-14(9)2)11-4-3-10(12)7-13-11/h3,7,9,11H,4-6,8H2,1-2H3/t9-,11?/m1/s1
InChIKeyMPJNSGCWRNRAKI-BFHBGLAWSA-N
XLogP1.28
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine
CID 142647347
1-(5-Methyl-2,3-dihydropyridin-2-yl)-4-propan-2-ylpiperazine
CID 70843752
1-Tert-butyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine
CID 90871964
1-Ethyl-4-(3-methyl-2,3-dihydropyridin-2-yl)piperazine
CID 91490711

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(5-fluoro-2,3-dihydropyridin-2-yl)-1,2-dimethylpiperazine?
The IUPAC name of (2R)-4-(5-fluoro-2,3-dihydropyridin-2-yl)-1,2-dimethylpiperazine (CID 144656714) is (2R)-4-(5-fluoro-2,3-dihydropyridin-2-yl)-1,2-dimethylpiperazine.
What is the SMILES notation for (2R)-4-(5-fluoro-2,3-dihydropyridin-2-yl)-1,2-dimethylpiperazine?
The canonical SMILES for (2R)-4-(5-fluoro-2,3-dihydropyridin-2-yl)-1,2-dimethylpiperazine is C[C@@H]1CN(C2CC=C(F)C=N2)CCN1C.
What is the InChIKey of (2R)-4-(5-fluoro-2,3-dihydropyridin-2-yl)-1,2-dimethylpiperazine?
The InChIKey is MPJNSGCWRNRAKI-BFHBGLAWSA-N. The full InChI is InChI=1S/C11H18FN3/c1-9-8-15(6-5-14(9)2)11-4-3-10(12)7-13-11/h3,7,9,11H,4-6,8H2,1-2H3/t9-,11?/m1/s1.
What are the key properties of (2R)-4-(5-fluoro-2,3-dihydropyridin-2-yl)-1,2-dimethylpiperazine?
(2R)-4-(5-fluoro-2,3-dihydropyridin-2-yl)-1,2-dimethylpiperazine has a molecular weight of 211.28 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(5-fluoro-2,3-dihydropyridin-2-yl)-1,2-dimethylpiperazine is sourced from PubChem (CID 144656714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).