(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-piperidin-1-ylethanol

C14H25NO4 — CID 10612169

IUPAC(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-piperidin-1-ylethanol
SMILESCC1(C)O[C@H]2O[C@H]([C@H](O)CN3CCCCC3)C[C@H]2O1
InChIInChI=1S/C14H25NO4/c1-14(2)18-12-8-11(17-13(12)19-14)10(16)9-15-6-4-3-5-7-15/h10-13,16H,3-9H2,1-2H3/t10-,11+,12-,13-/m1/s1
InChIKeyMNTKXWMNISARQA-YVECIDJPSA-N
MW271.36 g/mol
LogP1.10
Rot. Bonds3

About (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-piperidin-1-ylethanol

(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-piperidin-1-ylethanol (PubChem CID 10612169) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-piperidin-1-ylethanol.

Molecular Properties

Compound Name(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-piperidin-1-ylethanol
PubChem CID10612169
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-piperidin-1-ylethanol
SMILESCC1(C)O[C@H]2O[C@H]([C@H](O)CN3CCCCC3)C[C@H]2O1
InChIInChI=1S/C14H25NO4/c1-14(2)18-12-8-11(17-13(12)19-14)10(16)9-15-6-4-3-5-7-15/h10-13,16H,3-9H2,1-2H3/t10-,11+,12-,13-/m1/s1
InChIKeyMNTKXWMNISARQA-YVECIDJPSA-N
XLogP1.10
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-piperidin-1-ylethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-piperidin-1-ylethanol?
The IUPAC name of (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-piperidin-1-ylethanol (CID 10612169) is (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-piperidin-1-ylethanol.
What is the SMILES notation for (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-piperidin-1-ylethanol?
The canonical SMILES for (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-piperidin-1-ylethanol is CC1(C)O[C@H]2O[C@H]([C@H](O)CN3CCCCC3)C[C@H]2O1.
What is the InChIKey of (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-piperidin-1-ylethanol?
The InChIKey is MNTKXWMNISARQA-YVECIDJPSA-N. The full InChI is InChI=1S/C14H25NO4/c1-14(2)18-12-8-11(17-13(12)19-14)10(16)9-15-6-4-3-5-7-15/h10-13,16H,3-9H2,1-2H3/t10-,11+,12-,13-/m1/s1.
What are the key properties of (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-piperidin-1-ylethanol?
(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-piperidin-1-ylethanol has a molecular weight of 271.36 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-piperidin-1-ylethanol is sourced from PubChem (CID 10612169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).