1-[(2R)-4-[1-[6-[1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholin-2-yl]-N,N-dimethylmethanamine

C22H43FN4O2 — CID 177158447

IUPAC1-[(2R)-4-[1-[6-[1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholin-2-yl]-N,N-dimethylmethanamine
SMILESCC(C)N1CC(CC(C)N2CCO[C@H](CN(C)C)C2)OC(C(C)N2CC(F)C2)C1
InChIInChI=1S/C22H43FN4O2/c1-16(2)26-13-20(29-22(15-26)18(4)27-10-19(23)11-27)9-17(3)25-7-8-28-21(14-25)12-24(5)6/h16-22H,7-15H2,1-6H3/t17?,18?,20?,21-,22?/m1/s1
InChIKeyHXOUXMKDWJQKIY-VSVCISSFSA-N
MW414.61 g/mol
LogP1.55
Rot. Bonds8

About 1-[(2R)-4-[1-[6-[1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholin-2-yl]-N,N-dimethylmethanamine

1-[(2R)-4-[1-[6-[1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholin-2-yl]-N,N-dimethylmethanamine (PubChem CID 177158447) has the molecular formula C22H43FN4O2 and a molecular weight of 414.61 g/mol. Its IUPAC name is 1-[(2R)-4-[1-[6-[1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(2R)-4-[1-[6-[1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholin-2-yl]-N,N-dimethylmethanamine
PubChem CID177158447
Molecular FormulaC22H43FN4O2
Molecular Weight414.61 g/mol
Exact Mass414.34
IUPAC Name1-[(2R)-4-[1-[6-[1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholin-2-yl]-N,N-dimethylmethanamine
SMILESCC(C)N1CC(CC(C)N2CCO[C@H](CN(C)C)C2)OC(C(C)N2CC(F)C2)C1
InChIInChI=1S/C22H43FN4O2/c1-16(2)26-13-20(29-22(15-26)18(4)27-10-19(23)11-27)9-17(3)25-7-8-28-21(14-25)12-24(5)6/h16-22H,7-15H2,1-6H3/t17?,18?,20?,21-,22?/m1/s1
InChIKeyHXOUXMKDWJQKIY-VSVCISSFSA-N
XLogP1.55
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.61
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N,N-dimethyl-1-[4-[(2S,6R)-6-methyl-4-propan-2-ylmorpholin-2-yl]butan-2-yl]piperidin-4-amine
CID 135136473
(3S,5S)-3,5-dimethyl-4-[1-[(3R)-3-methyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholine
CID 137421883
2-[2-(4-Methoxypiperidin-1-yl)propyl]-4-propan-2-ylmorpholine
CID 146399848
4-(3-Propan-2-yloxyazetidin-1-yl)-1-(2-propan-2-yloxyethyl)piperidine
CID 153436866
4-(1-Propan-2-ylazetidin-3-yl)oxy-1-(2-propan-2-yloxyethyl)piperidine
CID 153436993
2-[(2S)-2-piperidin-1-ylpropyl]-4-(2-propan-2-yloxyethyl)morpholine
CID 155322708
1-(3-Methylbutan-2-yl)azetidine;4-(3-methylbutan-2-yl)morpholine;1-methyl-4-propan-2-yloxypiperidine
CID 160121758
1-(2-Butan-2-yloxyethyl)-4-(1-propan-2-ylazetidin-3-yl)oxypiperidine
CID 166788265
6-[1-[(3R,6S)-3,6-dimethyl-4-propan-2-ylmorpholin-2-yl]propan-2-yl]-3-oxa-6-azabicyclo[3.1.1]heptane
CID 166849975
1-[[4-[(1-tert-butylazetidin-3-yl)methyl]morpholin-2-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 167292167
N,N-dimethyl-2-propan-2-yloxyethanamine;4-(3-ethoxyazetidin-1-yl)-1-propan-2-ylpiperidine;2-ethoxypropane
CID 167658090
Ethane;3-fluoro-1-propan-2-ylazetidine;4-fluoro-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine
CID 169163787

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-[1-[6-[1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(2R)-4-[1-[6-[1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholin-2-yl]-N,N-dimethylmethanamine (CID 177158447) is 1-[(2R)-4-[1-[6-[1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(2R)-4-[1-[6-[1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(2R)-4-[1-[6-[1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholin-2-yl]-N,N-dimethylmethanamine is CC(C)N1CC(CC(C)N2CCO[C@H](CN(C)C)C2)OC(C(C)N2CC(F)C2)C1.
What is the InChIKey of 1-[(2R)-4-[1-[6-[1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is HXOUXMKDWJQKIY-VSVCISSFSA-N. The full InChI is InChI=1S/C22H43FN4O2/c1-16(2)26-13-20(29-22(15-26)18(4)27-10-19(23)11-27)9-17(3)25-7-8-28-21(14-25)12-24(5)6/h16-22H,7-15H2,1-6H3/t17?,18?,20?,21-,22?/m1/s1.
What are the key properties of 1-[(2R)-4-[1-[6-[1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholin-2-yl]-N,N-dimethylmethanamine?
1-[(2R)-4-[1-[6-[1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 414.61 g/mol, XLogP of 1.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-[1-[6-[1-(3-fluoroazetidin-1-yl)ethyl]-4-propan-2-ylmorpholin-2-yl]propan-2-yl]morpholin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 177158447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).