(2R)-1-[2-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-2-methylpiperazine

C16H25FN4O — CID 175912498

IUPAC(2R)-1-[2-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-2-methylpiperazine
SMILESC[C@@H]1CNCCN1c1cc(F)nc(OC[C@@H]2CCCN2C)c1
InChIInChI=1S/C16H25FN4O/c1-12-10-18-5-7-21(12)14-8-15(17)19-16(9-14)22-11-13-4-3-6-20(13)2/h8-9,12-13,18H,3-7,10-11H2,1-2H3/t12-,13+/m1/s1
InChIKeyZQOOAWRQESUNOE-OLZOCXBDSA-N
MW308.40 g/mol
LogP1.49
Rot. Bonds4

About (2R)-1-[2-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-2-methylpiperazine

(2R)-1-[2-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-2-methylpiperazine (PubChem CID 175912498) has the molecular formula C16H25FN4O and a molecular weight of 308.40 g/mol. Its IUPAC name is (2R)-1-[2-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-[2-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-2-methylpiperazine
PubChem CID175912498
Molecular FormulaC16H25FN4O
Molecular Weight308.40 g/mol
Exact Mass308.20
IUPAC Name(2R)-1-[2-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-2-methylpiperazine
SMILESC[C@@H]1CNCCN1c1cc(F)nc(OC[C@@H]2CCCN2C)c1
InChIInChI=1S/C16H25FN4O/c1-12-10-18-5-7-21(12)14-8-15(17)19-16(9-14)22-11-13-4-3-6-20(13)2/h8-9,12-13,18H,3-7,10-11H2,1-2H3/t12-,13+/m1/s1
InChIKeyZQOOAWRQESUNOE-OLZOCXBDSA-N
XLogP1.49
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-2-methylpiperazine?
The IUPAC name of (2R)-1-[2-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-2-methylpiperazine (CID 175912498) is (2R)-1-[2-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-2-methylpiperazine.
What is the SMILES notation for (2R)-1-[2-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-2-methylpiperazine?
The canonical SMILES for (2R)-1-[2-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-2-methylpiperazine is C[C@@H]1CNCCN1c1cc(F)nc(OC[C@@H]2CCCN2C)c1.
What is the InChIKey of (2R)-1-[2-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-2-methylpiperazine?
The InChIKey is ZQOOAWRQESUNOE-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H25FN4O/c1-12-10-18-5-7-21(12)14-8-15(17)19-16(9-14)22-11-13-4-3-6-20(13)2/h8-9,12-13,18H,3-7,10-11H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (2R)-1-[2-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-2-methylpiperazine?
(2R)-1-[2-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-2-methylpiperazine has a molecular weight of 308.40 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-pyridinyl]-2-methylpiperazine is sourced from PubChem (CID 175912498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).