(2R,6S)-4-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2,6-dimethylmorpholine

C14H27FN2O — CID 139470614

IUPAC(2R,6S)-4-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2,6-dimethylmorpholine
SMILESCC(C)N1CC[C@@H](N2C[C@@H](C)O[C@@H](C)C2)[C@@H](F)C1
InChIInChI=1S/C14H27FN2O/c1-10(2)16-6-5-14(13(15)9-16)17-7-11(3)18-12(4)8-17/h10-14H,5-9H2,1-4H3/t11-,12+,13-,14+/m0/s1
InChIKeyGUVXZMBMQKDXJP-RFQIPJPRSA-N
MW258.38 g/mol
LogP1.92
Rot. Bonds2

About (2R,6S)-4-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2,6-dimethylmorpholine

(2R,6S)-4-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2,6-dimethylmorpholine (PubChem CID 139470614) has the molecular formula C14H27FN2O and a molecular weight of 258.38 g/mol. Its IUPAC name is (2R,6S)-4-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2,6-dimethylmorpholine
PubChem CID139470614
Molecular FormulaC14H27FN2O
Molecular Weight258.38 g/mol
Exact Mass258.21
IUPAC Name(2R,6S)-4-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2,6-dimethylmorpholine
SMILESCC(C)N1CC[C@@H](N2C[C@@H](C)O[C@@H](C)C2)[C@@H](F)C1
InChIInChI=1S/C14H27FN2O/c1-10(2)16-6-5-14(13(15)9-16)17-7-11(3)18-12(4)8-17/h10-14H,5-9H2,1-4H3/t11-,12+,13-,14+/m0/s1
InChIKeyGUVXZMBMQKDXJP-RFQIPJPRSA-N
XLogP1.92
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2,6-dimethylmorpholine (CID 139470614) is (2R,6S)-4-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2,6-dimethylmorpholine is CC(C)N1CC[C@@H](N2C[C@@H](C)O[C@@H](C)C2)[C@@H](F)C1.
What is the InChIKey of (2R,6S)-4-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2,6-dimethylmorpholine?
The InChIKey is GUVXZMBMQKDXJP-RFQIPJPRSA-N. The full InChI is InChI=1S/C14H27FN2O/c1-10(2)16-6-5-14(13(15)9-16)17-7-11(3)18-12(4)8-17/h10-14H,5-9H2,1-4H3/t11-,12+,13-,14+/m0/s1.
What are the key properties of (2R,6S)-4-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2,6-dimethylmorpholine?
(2R,6S)-4-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2,6-dimethylmorpholine has a molecular weight of 258.38 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 139470614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).