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

C15H27NO5 — CID 10756714

IUPAC(1R)-1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-piperidin-1-ylethanol
SMILESCO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H](O)CN1CCCCC1
InChIInChI=1S/C15H27NO5/c1-15(2)20-13-12(18-3)11(19-14(13)21-15)10(17)9-16-7-5-4-6-8-16/h10-14,17H,4-9H2,1-3H3/t10-,11-,12+,13-,14-/m1/s1
InChIKeyZWXXDHBNERUHOY-RKQHYHRCSA-N
MW301.38 g/mol
LogP0.72
Rot. Bonds4

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

(1R)-1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-piperidin-1-ylethanol (PubChem CID 10756714) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is (1R)-1-[(3aR,5R,6S,6aR)-6-methoxy-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,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-piperidin-1-ylethanol
PubChem CID10756714
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name(1R)-1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-piperidin-1-ylethanol
SMILESCO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H](O)CN1CCCCC1
InChIInChI=1S/C15H27NO5/c1-15(2)20-13-12(18-3)11(19-14(13)21-15)10(17)9-16-7-5-4-6-8-16/h10-14,17H,4-9H2,1-3H3/t10-,11-,12+,13-,14-/m1/s1
InChIKeyZWXXDHBNERUHOY-RKQHYHRCSA-N
XLogP0.72
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(2R,3R,4R,5S)-1-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 503979
(2R,3S,4S,5R,6S)-2-[[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]methyl]-6-methoxyoxane-3,4,5-triol
CID 56678512
Casuarine-6-alpha-glucoside
CID 384348
[(3aR,6R,6aR)-3,5-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-trimethylazanium bromide
CID 45109728
(3aR,5R,6S,6aR)-5-[(Dimethylamino)methyl]-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-ol
CID 10242463
(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(morpholin-4-yl)methyl]-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-ol
CID 10978164
(3aR,5R,6R,6aR)-5-(hydroxymethyl)-2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 11231925
Piperidino-maltulose
CID 129719802
(3aR,5R)-5-[(dimethylamino)methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 134857814
5-[2-(Aziridin-1-yl)-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 413655
(3R,4S,5R)-5-(hydroxymethyl)-2-(morpholin-4-ylmethyl)oxolane-2,3,4-triol
CID 17757245
5-(Hydroxymethyl)-2-(piperidin-1-ylmethyl)oxolane-2,3,4-triol
CID 254513

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3aR,5R,6S,6aR)-6-methoxy-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,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-piperidin-1-ylethanol (CID 10756714) is (1R)-1-[(3aR,5R,6S,6aR)-6-methoxy-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,5R,6S,6aR)-6-methoxy-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,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-piperidin-1-ylethanol is CO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H](O)CN1CCCCC1.
What is the InChIKey of (1R)-1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-piperidin-1-ylethanol?
The InChIKey is ZWXXDHBNERUHOY-RKQHYHRCSA-N. The full InChI is InChI=1S/C15H27NO5/c1-15(2)20-13-12(18-3)11(19-14(13)21-15)10(17)9-16-7-5-4-6-8-16/h10-14,17H,4-9H2,1-3H3/t10-,11-,12+,13-,14-/m1/s1.
What are the key properties of (1R)-1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-piperidin-1-ylethanol?
(1R)-1-[(3aR,5R,6S,6aR)-6-methoxy-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 301.38 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3aR,5R,6S,6aR)-6-methoxy-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 10756714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).