(2R)-1-[(3aR,7aS)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol

C11H21NO3 — CID 59600179

IUPAC(2R)-1-[(3aR,7aS)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol
SMILESC[C@@H](O)CN1CC[C@@H]2OC(C)(C)O[C@@H]2C1
InChIInChI=1S/C11H21NO3/c1-8(13)6-12-5-4-9-10(7-12)15-11(2,3)14-9/h8-10,13H,4-7H2,1-3H3/t8-,9+,10-/m1/s1
InChIKeyQRUDOMCYYWZGDT-KXUCPTDWSA-N
MW215.29 g/mol
LogP0.59
Rot. Bonds2

About (2R)-1-[(3aR,7aS)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol

(2R)-1-[(3aR,7aS)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol (PubChem CID 59600179) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (2R)-1-[(3aR,7aS)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(3aR,7aS)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol
PubChem CID59600179
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(2R)-1-[(3aR,7aS)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol
SMILESC[C@@H](O)CN1CC[C@@H]2OC(C)(C)O[C@@H]2C1
InChIInChI=1S/C11H21NO3/c1-8(13)6-12-5-4-9-10(7-12)15-11(2,3)14-9/h8-10,13H,4-7H2,1-3H3/t8-,9+,10-/m1/s1
InChIKeyQRUDOMCYYWZGDT-KXUCPTDWSA-N
XLogP0.59
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[(3aR,7aS)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-Hydroxyethyl)-4-piperidone ethylene ketal
CID 16217968
5-Ethylhexahydro-[1,3]dioxolo[4,5-c]pyridine
CID 421237
3-(1,4-Dioxa-9-azaspiro[4.5]decan-9-yl)-1,1,1-trifluoropropan-2-ol
CID 81722824
1-{1,4-Dioxa-7-azaspiro[4.5]decan-7-yl}-3-fluoropropan-2-ol
CID 130946967
5-ethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine;hydrochloride
CID 24192057
(3aS,7S,7aR)-2,2,5-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-ol
CID 10797668
(3aR,7R,7aS)-5-(3-azidopropyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-ol
CID 122371884
2,2,5-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine
CID 12883269
(3aR,7aS)-2,2,5-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine
CID 12883270
4-[2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethyl]morpholine
CID 58391417
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-3-methoxypropan-2-ol
CID 58891101
1-(1,3-Dioxolan-2-ylmethyl)piperidin-3-ol
CID 59361774

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3aR,7aS)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(3aR,7aS)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol (CID 59600179) is (2R)-1-[(3aR,7aS)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(3aR,7aS)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(3aR,7aS)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol is C[C@@H](O)CN1CC[C@@H]2OC(C)(C)O[C@@H]2C1.
What is the InChIKey of (2R)-1-[(3aR,7aS)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol?
The InChIKey is QRUDOMCYYWZGDT-KXUCPTDWSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(13)6-12-5-4-9-10(7-12)15-11(2,3)14-9/h8-10,13H,4-7H2,1-3H3/t8-,9+,10-/m1/s1.
What are the key properties of (2R)-1-[(3aR,7aS)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol?
(2R)-1-[(3aR,7aS)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol has a molecular weight of 215.29 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3aR,7aS)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol is sourced from PubChem (CID 59600179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).