(3R,4R)-4-(4-propan-2-ylpiperazin-1-yl)oxolan-3-ol

C11H22N2O2 — CID 164848124

IUPAC(3R,4R)-4-(4-propan-2-ylpiperazin-1-yl)oxolan-3-ol
SMILESCC(C)N1CCN([C@@H]2COC[C@@H]2O)CC1
InChIInChI=1S/C11H22N2O2/c1-9(2)12-3-5-13(6-4-12)10-7-15-8-11(10)14/h9-11,14H,3-8H2,1-2H3/t10-,11+/m1/s1
InChIKeySHDWCDLJNWHDAN-MNOVXSKESA-N
MW214.31 g/mol
LogP-0.23
Rot. Bonds2

About (3R,4R)-4-(4-propan-2-ylpiperazin-1-yl)oxolan-3-ol

(3R,4R)-4-(4-propan-2-ylpiperazin-1-yl)oxolan-3-ol (PubChem CID 164848124) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (3R,4R)-4-(4-propan-2-ylpiperazin-1-yl)oxolan-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(4-propan-2-ylpiperazin-1-yl)oxolan-3-ol
PubChem CID164848124
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(3R,4R)-4-(4-propan-2-ylpiperazin-1-yl)oxolan-3-ol
SMILESCC(C)N1CCN([C@@H]2COC[C@@H]2O)CC1
InChIInChI=1S/C11H22N2O2/c1-9(2)12-3-5-13(6-4-12)10-7-15-8-11(10)14/h9-11,14H,3-8H2,1-2H3/t10-,11+/m1/s1
InChIKeySHDWCDLJNWHDAN-MNOVXSKESA-N
XLogP-0.23
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(4-propan-2-ylpiperazin-1-yl)oxolan-3-ol?
The IUPAC name of (3R,4R)-4-(4-propan-2-ylpiperazin-1-yl)oxolan-3-ol (CID 164848124) is (3R,4R)-4-(4-propan-2-ylpiperazin-1-yl)oxolan-3-ol.
What is the SMILES notation for (3R,4R)-4-(4-propan-2-ylpiperazin-1-yl)oxolan-3-ol?
The canonical SMILES for (3R,4R)-4-(4-propan-2-ylpiperazin-1-yl)oxolan-3-ol is CC(C)N1CCN([C@@H]2COC[C@@H]2O)CC1.
What is the InChIKey of (3R,4R)-4-(4-propan-2-ylpiperazin-1-yl)oxolan-3-ol?
The InChIKey is SHDWCDLJNWHDAN-MNOVXSKESA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)12-3-5-13(6-4-12)10-7-15-8-11(10)14/h9-11,14H,3-8H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of (3R,4R)-4-(4-propan-2-ylpiperazin-1-yl)oxolan-3-ol?
(3R,4R)-4-(4-propan-2-ylpiperazin-1-yl)oxolan-3-ol has a molecular weight of 214.31 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(4-propan-2-ylpiperazin-1-yl)oxolan-3-ol is sourced from PubChem (CID 164848124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).