4-[4-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]oxolan-3-ol

C16H25N3O2 — CID 118740122

IUPAC4-[4-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]oxolan-3-ol
SMILESCN(C)c1cccc(C2CCN(C3COCC3O)CC2)n1
InChIInChI=1S/C16H25N3O2/c1-18(2)16-5-3-4-13(17-16)12-6-8-19(9-7-12)14-10-21-11-15(14)20/h3-5,12,14-15,20H,6-11H2,1-2H3
InChIKeyAAMVFJWNURPQCG-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.09
Rot. Bonds3

About 4-[4-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]oxolan-3-ol

4-[4-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]oxolan-3-ol (PubChem CID 118740122) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[4-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]oxolan-3-ol.

Molecular Properties

Compound Name4-[4-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]oxolan-3-ol
PubChem CID118740122
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-[4-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]oxolan-3-ol
SMILESCN(C)c1cccc(C2CCN(C3COCC3O)CC2)n1
InChIInChI=1S/C16H25N3O2/c1-18(2)16-5-3-4-13(17-16)12-6-8-19(9-7-12)14-10-21-11-15(14)20/h3-5,12,14-15,20H,6-11H2,1-2H3
InChIKeyAAMVFJWNURPQCG-UHFFFAOYSA-N
XLogP1.09
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]oxolan-3-ol?
The IUPAC name of 4-[4-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]oxolan-3-ol (CID 118740122) is 4-[4-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]oxolan-3-ol.
What is the SMILES notation for 4-[4-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]oxolan-3-ol?
The canonical SMILES for 4-[4-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]oxolan-3-ol is CN(C)c1cccc(C2CCN(C3COCC3O)CC2)n1.
What is the InChIKey of 4-[4-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]oxolan-3-ol?
The InChIKey is AAMVFJWNURPQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-18(2)16-5-3-4-13(17-16)12-6-8-19(9-7-12)14-10-21-11-15(14)20/h3-5,12,14-15,20H,6-11H2,1-2H3.
What are the key properties of 4-[4-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]oxolan-3-ol?
4-[4-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]oxolan-3-ol has a molecular weight of 291.39 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]oxolan-3-ol is sourced from PubChem (CID 118740122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).