(3R,4S)-3-fluoro-1-(oxolan-3-yl)-4-propan-2-yloxypiperidine

C12H22FNO2 — CID 121261810

IUPAC(3R,4S)-3-fluoro-1-(oxolan-3-yl)-4-propan-2-yloxypiperidine
SMILESCC(C)O[C@H]1CCN(C2CCOC2)C[C@H]1F
InChIInChI=1S/C12H22FNO2/c1-9(2)16-12-3-5-14(7-11(12)13)10-4-6-15-8-10/h9-12H,3-8H2,1-2H3/t10?,11-,12+/m1/s1
InChIKeyNUBFSJZKXDGHFT-SAIIYOCFSA-N
MW231.31 g/mol
LogP1.61
Rot. Bonds3

About (3R,4S)-3-fluoro-1-(oxolan-3-yl)-4-propan-2-yloxypiperidine

(3R,4S)-3-fluoro-1-(oxolan-3-yl)-4-propan-2-yloxypiperidine (PubChem CID 121261810) has the molecular formula C12H22FNO2 and a molecular weight of 231.31 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-1-(oxolan-3-yl)-4-propan-2-yloxypiperidine.

Molecular Properties

Compound Name(3R,4S)-3-fluoro-1-(oxolan-3-yl)-4-propan-2-yloxypiperidine
PubChem CID121261810
Molecular FormulaC12H22FNO2
Molecular Weight231.31 g/mol
Exact Mass231.16
IUPAC Name(3R,4S)-3-fluoro-1-(oxolan-3-yl)-4-propan-2-yloxypiperidine
SMILESCC(C)O[C@H]1CCN(C2CCOC2)C[C@H]1F
InChIInChI=1S/C12H22FNO2/c1-9(2)16-12-3-5-14(7-11(12)13)10-4-6-15-8-10/h9-12H,3-8H2,1-2H3/t10?,11-,12+/m1/s1
InChIKeyNUBFSJZKXDGHFT-SAIIYOCFSA-N
XLogP1.61
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Oxolan-3-yl)piperidine
CID 14978005
(2R)-2-(1-fluoroethyl)-4-propan-2-ylmorpholine
CID 117804156
(3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-yloxypiperidine
CID 121261808
(3R,4S)-3-fluoro-4-methoxy-1-(oxetan-3-yl)piperidine
CID 121265270
(3R,4S)-3-fluoro-4-methoxy-1-(oxolan-3-yl)piperidine
CID 121265294
4-[1,1,1,3,3-Pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]morpholine
CID 130418414
4-[1,1,1,3,3-pentafluoro-4-[(2R,4R)-3,3,4,5,5,5-hexafluoropentan-2-yl]oxypentan-2-yl]-2,6-bis(trifluoromethyl)morpholine
CID 130418422
4-[1,1,1,3,3-Pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-2,6-bis(trifluoromethyl)morpholine
CID 130418441
1-[1-(Difluoromethoxy)propan-2-yl]-4-methoxypiperidine
CID 132009876
(3R,4S)-4-butan-2-yloxy-3-fluoro-1-(oxolan-3-yl)piperidine
CID 135291743
(3R,4S)-4-ethoxy-3-fluoro-1-(oxolan-3-yl)piperidine
CID 135291777
4-Fluoro-3-methoxy-2-methyl-1-propan-2-ylpyrrolidine
CID 145325773

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-fluoro-1-(oxolan-3-yl)-4-propan-2-yloxypiperidine?
The IUPAC name of (3R,4S)-3-fluoro-1-(oxolan-3-yl)-4-propan-2-yloxypiperidine (CID 121261810) is (3R,4S)-3-fluoro-1-(oxolan-3-yl)-4-propan-2-yloxypiperidine.
What is the SMILES notation for (3R,4S)-3-fluoro-1-(oxolan-3-yl)-4-propan-2-yloxypiperidine?
The canonical SMILES for (3R,4S)-3-fluoro-1-(oxolan-3-yl)-4-propan-2-yloxypiperidine is CC(C)O[C@H]1CCN(C2CCOC2)C[C@H]1F.
What is the InChIKey of (3R,4S)-3-fluoro-1-(oxolan-3-yl)-4-propan-2-yloxypiperidine?
The InChIKey is NUBFSJZKXDGHFT-SAIIYOCFSA-N. The full InChI is InChI=1S/C12H22FNO2/c1-9(2)16-12-3-5-14(7-11(12)13)10-4-6-15-8-10/h9-12H,3-8H2,1-2H3/t10?,11-,12+/m1/s1.
What are the key properties of (3R,4S)-3-fluoro-1-(oxolan-3-yl)-4-propan-2-yloxypiperidine?
(3R,4S)-3-fluoro-1-(oxolan-3-yl)-4-propan-2-yloxypiperidine has a molecular weight of 231.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoro-1-(oxolan-3-yl)-4-propan-2-yloxypiperidine is sourced from PubChem (CID 121261810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).