4-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]oxolan-3-ol

C17H31N3O2 — CID 126892748

IUPAC4-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]oxolan-3-ol
SMILESOC1COCC1N1CC(N2CCN(C3CCCCC3)CC2)C1
InChIInChI=1S/C17H31N3O2/c21-17-13-22-12-16(17)20-10-15(11-20)19-8-6-18(7-9-19)14-4-2-1-3-5-14/h14-17,21H,1-13H2
InChIKeyIIIXZKSNNNYLDB-UHFFFAOYSA-N
MW309.45 g/mol
LogP0.38
Rot. Bonds3

About 4-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]oxolan-3-ol

4-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]oxolan-3-ol (PubChem CID 126892748) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 4-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]oxolan-3-ol.

Molecular Properties

Compound Name4-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]oxolan-3-ol
PubChem CID126892748
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name4-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]oxolan-3-ol
SMILESOC1COCC1N1CC(N2CCN(C3CCCCC3)CC2)C1
InChIInChI=1S/C17H31N3O2/c21-17-13-22-12-16(17)20-10-15(11-20)19-8-6-18(7-9-19)14-4-2-1-3-5-14/h14-17,21H,1-13H2
InChIKeyIIIXZKSNNNYLDB-UHFFFAOYSA-N
XLogP0.38
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-fluoroazetidin-1-yl)oxolan-3-ol
CID 126856878
(3R,4S)-4-morpholin-4-yloxolan-3-ol
CID 11378780
(3S,4R)-4-(4-aminopiperidin-1-yl)oxolan-3-ol
CID 126846710
1-[(4S)-4-hydroxyoxolan-3-yl]-4-methylpyrrolidin-3-ol
CID 130676350
2-(3-piperazin-1-ylazetidin-1-yl)cycloheptan-1-ol
CID 66195786
(3S,4R)-4-(3-ethylazetidin-1-yl)oxolan-3-ol
CID 130703467
(3S,4S)-1-cycloheptyl-4-morpholin-4-ylpyrrolidin-3-ol
CID 131903256
4-piperazin-1-yloxolan-3-ol
CID 126973224
(3R,4R)-4-(4-propan-2-ylpiperazin-1-yl)oxolan-3-ol
CID 164848124
(3S,4R)-4-(4-methoxypiperidin-1-yl)oxolan-3-ol
CID 126846681
1-cyclooctylpyrrolidine
CID 23277874
1-cyclohexylazocane
CID 23151203

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]oxolan-3-ol?
The IUPAC name of 4-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]oxolan-3-ol (CID 126892748) is 4-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]oxolan-3-ol.
What is the SMILES notation for 4-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]oxolan-3-ol?
The canonical SMILES for 4-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]oxolan-3-ol is OC1COCC1N1CC(N2CCN(C3CCCCC3)CC2)C1.
What is the InChIKey of 4-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]oxolan-3-ol?
The InChIKey is IIIXZKSNNNYLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c21-17-13-22-12-16(17)20-10-15(11-20)19-8-6-18(7-9-19)14-4-2-1-3-5-14/h14-17,21H,1-13H2.
What are the key properties of 4-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]oxolan-3-ol?
4-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]oxolan-3-ol has a molecular weight of 309.45 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]oxolan-3-ol is sourced from PubChem (CID 126892748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).