(1S,2S,3S,4R,5R)-2-(cyclopropylmethylamino)-4-piperidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol

C15H26N2O3 — CID 25338182

IUPAC(1S,2S,3S,4R,5R)-2-(cyclopropylmethylamino)-4-piperidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESO[C@H]1[C@H](NCC2CC2)[C@H]2CO[C@H](O2)[C@@H]1N1CCCCC1
InChIInChI=1S/C15H26N2O3/c18-14-12(16-8-10-4-5-10)11-9-19-15(20-11)13(14)17-6-2-1-3-7-17/h10-16,18H,1-9H2/t11-,12-,13-,14+,15-/m1/s1
InChIKeyPHRFVNFUYDVNGR-ARILJUKYSA-N
MW282.38 g/mol
LogP0.33
Rot. Bonds4

About (1S,2S,3S,4R,5R)-2-(cyclopropylmethylamino)-4-piperidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol

(1S,2S,3S,4R,5R)-2-(cyclopropylmethylamino)-4-piperidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol (PubChem CID 25338182) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (1S,2S,3S,4R,5R)-2-(cyclopropylmethylamino)-4-piperidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1S,2S,3S,4R,5R)-2-(cyclopropylmethylamino)-4-piperidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol
PubChem CID25338182
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(1S,2S,3S,4R,5R)-2-(cyclopropylmethylamino)-4-piperidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESO[C@H]1[C@H](NCC2CC2)[C@H]2CO[C@H](O2)[C@@H]1N1CCCCC1
InChIInChI=1S/C15H26N2O3/c18-14-12(16-8-10-4-5-10)11-9-19-15(20-11)13(14)17-6-2-1-3-7-17/h10-16,18H,1-9H2/t11-,12-,13-,14+,15-/m1/s1
InChIKeyPHRFVNFUYDVNGR-ARILJUKYSA-N
XLogP0.33
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S,2S,3S,4R,5R)-2-(cyclopropylmethylamino)-4-piperidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,4R,5R)-2-(cyclopropylmethylamino)-4-piperidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1S,2S,3S,4R,5R)-2-(cyclopropylmethylamino)-4-piperidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol (CID 25338182) is (1S,2S,3S,4R,5R)-2-(cyclopropylmethylamino)-4-piperidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1S,2S,3S,4R,5R)-2-(cyclopropylmethylamino)-4-piperidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1S,2S,3S,4R,5R)-2-(cyclopropylmethylamino)-4-piperidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol is O[C@H]1[C@H](NCC2CC2)[C@H]2CO[C@H](O2)[C@@H]1N1CCCCC1.
What is the InChIKey of (1S,2S,3S,4R,5R)-2-(cyclopropylmethylamino)-4-piperidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The InChIKey is PHRFVNFUYDVNGR-ARILJUKYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14-12(16-8-10-4-5-10)11-9-19-15(20-11)13(14)17-6-2-1-3-7-17/h10-16,18H,1-9H2/t11-,12-,13-,14+,15-/m1/s1.
What are the key properties of (1S,2S,3S,4R,5R)-2-(cyclopropylmethylamino)-4-piperidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
(1S,2S,3S,4R,5R)-2-(cyclopropylmethylamino)-4-piperidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol has a molecular weight of 282.38 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,4R,5R)-2-(cyclopropylmethylamino)-4-piperidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 25338182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).