(3R,4R)-3-fluoro-1-(3-propan-2-ylcyclobutyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine

C20H37FN2O — CID 171598560

IUPAC(3R,4R)-3-fluoro-1-(3-propan-2-ylcyclobutyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine
SMILESCC(C)C1CC(N2CC[C@@H](OC3CCN(C(C)C)CC3)[C@H](F)C2)C1
InChIInChI=1S/C20H37FN2O/c1-14(2)16-11-17(12-16)23-10-7-20(19(21)13-23)24-18-5-8-22(9-6-18)15(3)4/h14-20H,5-13H2,1-4H3/t16?,17?,19-,20-/m1/s1
InChIKeyNFILPVDRKXGDEN-OTGCGEFBSA-N
MW340.53 g/mol
LogP3.72
Rot. Bonds5

About (3R,4R)-3-fluoro-1-(3-propan-2-ylcyclobutyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine

(3R,4R)-3-fluoro-1-(3-propan-2-ylcyclobutyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine (PubChem CID 171598560) has the molecular formula C20H37FN2O and a molecular weight of 340.53 g/mol. Its IUPAC name is (3R,4R)-3-fluoro-1-(3-propan-2-ylcyclobutyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine.

Molecular Properties

Compound Name(3R,4R)-3-fluoro-1-(3-propan-2-ylcyclobutyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine
PubChem CID171598560
Molecular FormulaC20H37FN2O
Molecular Weight340.53 g/mol
Exact Mass340.29
IUPAC Name(3R,4R)-3-fluoro-1-(3-propan-2-ylcyclobutyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine
SMILESCC(C)C1CC(N2CC[C@@H](OC3CCN(C(C)C)CC3)[C@H](F)C2)C1
InChIInChI=1S/C20H37FN2O/c1-14(2)16-11-17(12-16)23-10-7-20(19(21)13-23)24-18-5-8-22(9-6-18)15(3)4/h14-20H,5-13H2,1-4H3/t16?,17?,19-,20-/m1/s1
InChIKeyNFILPVDRKXGDEN-OTGCGEFBSA-N
XLogP3.72
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-3-fluoro-1-(3-propan-2-ylcyclobutyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine with MolForge

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Related Compounds

3-Fluoro-1-(3-methylbutyl)-4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidine
CID 156187209
1-[(1-Ethylpiperidin-4-yl)methyl]-3-fluoro-4-propan-2-yloxypiperidine
CID 156187671
1-(2,2-Difluoropropyl)-4-propan-2-ylpiperidine;1-propan-2-yl-4-(trifluoromethoxy)piperidine
CID 157479783
3-Fluoro-4-propan-2-yloxy-1-[(1-propylpiperidin-4-yl)methyl]piperidine
CID 165116637
3-Fluoro-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-propan-2-yloxypiperidine
CID 165372739
3-Fluoro-1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-4-propan-2-yloxypiperidine
CID 165372759
(3R,4S)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-4-propan-2-ylpiperidine
CID 168081137
2-[[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 171598429
2-[2-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]ethyl]-4-propan-2-ylmorpholine
CID 171598745
3-Fluoro-1-(3-propan-2-ylcyclobutyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine
CID 171598864
(3S)-3-fluoro-4-propan-2-yl-1-[3-(1-propan-2-ylpiperidin-4-yl)oxycyclobutyl]piperidine
CID 171723122
(3R)-3-fluoro-4-propan-2-yl-1-[3-(1-propan-2-ylpiperidin-4-yl)oxycyclobutyl]piperidine
CID 171723132

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-fluoro-1-(3-propan-2-ylcyclobutyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine?
The IUPAC name of (3R,4R)-3-fluoro-1-(3-propan-2-ylcyclobutyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine (CID 171598560) is (3R,4R)-3-fluoro-1-(3-propan-2-ylcyclobutyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine.
What is the SMILES notation for (3R,4R)-3-fluoro-1-(3-propan-2-ylcyclobutyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine?
The canonical SMILES for (3R,4R)-3-fluoro-1-(3-propan-2-ylcyclobutyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine is CC(C)C1CC(N2CC[C@@H](OC3CCN(C(C)C)CC3)[C@H](F)C2)C1.
What is the InChIKey of (3R,4R)-3-fluoro-1-(3-propan-2-ylcyclobutyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine?
The InChIKey is NFILPVDRKXGDEN-OTGCGEFBSA-N. The full InChI is InChI=1S/C20H37FN2O/c1-14(2)16-11-17(12-16)23-10-7-20(19(21)13-23)24-18-5-8-22(9-6-18)15(3)4/h14-20H,5-13H2,1-4H3/t16?,17?,19-,20-/m1/s1.
What are the key properties of (3R,4R)-3-fluoro-1-(3-propan-2-ylcyclobutyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine?
(3R,4R)-3-fluoro-1-(3-propan-2-ylcyclobutyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine has a molecular weight of 340.53 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-fluoro-1-(3-propan-2-ylcyclobutyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine is sourced from PubChem (CID 171598560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).