(2R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol

C13H27NO3 — CID 95357883

IUPAC(2R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@H](O)CN1CCCC[C@@H]1CCO
InChIInChI=1S/C13H27NO3/c1-11(2)17-10-13(16)9-14-7-4-3-5-12(14)6-8-15/h11-13,15-16H,3-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyBYBDHORRJHSSDG-CHWSQXEVSA-N
MW245.36 g/mol
LogP1.01
Rot. Bonds7

About (2R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol

(2R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol (PubChem CID 95357883) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is (2R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
PubChem CID95357883
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name(2R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@H](O)CN1CCCC[C@@H]1CCO
InChIInChI=1S/C13H27NO3/c1-11(2)17-10-13(16)9-14-7-4-3-5-12(14)6-8-15/h11-13,15-16H,3-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyBYBDHORRJHSSDG-CHWSQXEVSA-N
XLogP1.01
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of (2R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol (CID 95357883) is (2R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol is CC(C)OC[C@H](O)CN1CCCC[C@@H]1CCO.
What is the InChIKey of (2R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The InChIKey is BYBDHORRJHSSDG-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H27NO3/c1-11(2)17-10-13(16)9-14-7-4-3-5-12(14)6-8-15/h11-13,15-16H,3-10H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (2R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
(2R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol has a molecular weight of 245.36 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 95357883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).