(2R)-4-[1-[6-(diethoxymethyl)-3-fluoro-2-pyridinyl]azetidin-3-yl]-1,2-dimethylpiperazine

C19H31FN4O2 — CID 118162414

IUPAC(2R)-4-[1-[6-(diethoxymethyl)-3-fluoro-2-pyridinyl]azetidin-3-yl]-1,2-dimethylpiperazine
SMILESCCOC(OCC)c1ccc(F)c(N2CC(N3CCN(C)[C@H](C)C3)C2)n1
InChIInChI=1S/C19H31FN4O2/c1-5-25-19(26-6-2)17-8-7-16(20)18(21-17)24-12-15(13-24)23-10-9-22(4)14(3)11-23/h7-8,14-15,19H,5-6,9-13H2,1-4H3/t14-/m1/s1
InChIKeyOSPIFMYVWOUNGY-CQSZACIVSA-N
MW366.48 g/mol
LogP2.12
Rot. Bonds7

About (2R)-4-[1-[6-(diethoxymethyl)-3-fluoro-2-pyridinyl]azetidin-3-yl]-1,2-dimethylpiperazine

(2R)-4-[1-[6-(diethoxymethyl)-3-fluoro-2-pyridinyl]azetidin-3-yl]-1,2-dimethylpiperazine (PubChem CID 118162414) has the molecular formula C19H31FN4O2 and a molecular weight of 366.48 g/mol. Its IUPAC name is (2R)-4-[1-[6-(diethoxymethyl)-3-fluoro-2-pyridinyl]azetidin-3-yl]-1,2-dimethylpiperazine.

Molecular Properties

Compound Name(2R)-4-[1-[6-(diethoxymethyl)-3-fluoro-2-pyridinyl]azetidin-3-yl]-1,2-dimethylpiperazine
PubChem CID118162414
Molecular FormulaC19H31FN4O2
Molecular Weight366.48 g/mol
Exact Mass366.24
IUPAC Name(2R)-4-[1-[6-(diethoxymethyl)-3-fluoro-2-pyridinyl]azetidin-3-yl]-1,2-dimethylpiperazine
SMILESCCOC(OCC)c1ccc(F)c(N2CC(N3CCN(C)[C@H](C)C3)C2)n1
InChIInChI=1S/C19H31FN4O2/c1-5-25-19(26-6-2)17-8-7-16(20)18(21-17)24-12-15(13-24)23-10-9-22(4)14(3)11-23/h7-8,14-15,19H,5-6,9-13H2,1-4H3/t14-/m1/s1
InChIKeyOSPIFMYVWOUNGY-CQSZACIVSA-N
XLogP2.12
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[1-[6-(diethoxymethyl)-3-fluoro-2-pyridinyl]azetidin-3-yl]-1,2-dimethylpiperazine?
The IUPAC name of (2R)-4-[1-[6-(diethoxymethyl)-3-fluoro-2-pyridinyl]azetidin-3-yl]-1,2-dimethylpiperazine (CID 118162414) is (2R)-4-[1-[6-(diethoxymethyl)-3-fluoro-2-pyridinyl]azetidin-3-yl]-1,2-dimethylpiperazine.
What is the SMILES notation for (2R)-4-[1-[6-(diethoxymethyl)-3-fluoro-2-pyridinyl]azetidin-3-yl]-1,2-dimethylpiperazine?
The canonical SMILES for (2R)-4-[1-[6-(diethoxymethyl)-3-fluoro-2-pyridinyl]azetidin-3-yl]-1,2-dimethylpiperazine is CCOC(OCC)c1ccc(F)c(N2CC(N3CCN(C)[C@H](C)C3)C2)n1.
What is the InChIKey of (2R)-4-[1-[6-(diethoxymethyl)-3-fluoro-2-pyridinyl]azetidin-3-yl]-1,2-dimethylpiperazine?
The InChIKey is OSPIFMYVWOUNGY-CQSZACIVSA-N. The full InChI is InChI=1S/C19H31FN4O2/c1-5-25-19(26-6-2)17-8-7-16(20)18(21-17)24-12-15(13-24)23-10-9-22(4)14(3)11-23/h7-8,14-15,19H,5-6,9-13H2,1-4H3/t14-/m1/s1.
What are the key properties of (2R)-4-[1-[6-(diethoxymethyl)-3-fluoro-2-pyridinyl]azetidin-3-yl]-1,2-dimethylpiperazine?
(2R)-4-[1-[6-(diethoxymethyl)-3-fluoro-2-pyridinyl]azetidin-3-yl]-1,2-dimethylpiperazine has a molecular weight of 366.48 g/mol, XLogP of 2.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[1-[6-(diethoxymethyl)-3-fluoro-2-pyridinyl]azetidin-3-yl]-1,2-dimethylpiperazine is sourced from PubChem (CID 118162414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).