(3aR,5R,7aR)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole

C15H28N2O2 — CID 124547983

IUPAC(3aR,5R,7aR)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole
SMILESCN1CCC(COC[C@H]2CC[C@H]3NCC[C@H]3O2)CC1
InChIInChI=1S/C15H28N2O2/c1-17-8-5-12(6-9-17)10-18-11-13-2-3-14-15(19-13)4-7-16-14/h12-16H,2-11H2,1H3/t13-,14-,15-/m1/s1
InChIKeyYLNBUUULDBJCBV-RBSFLKMASA-N
MW268.40 g/mol
LogP1.25
Rot. Bonds4

About (3aR,5R,7aR)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole

(3aR,5R,7aR)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole (PubChem CID 124547983) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (3aR,5R,7aR)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole.

Molecular Properties

Compound Name(3aR,5R,7aR)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole
PubChem CID124547983
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(3aR,5R,7aR)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole
SMILESCN1CCC(COC[C@H]2CC[C@H]3NCC[C@H]3O2)CC1
InChIInChI=1S/C15H28N2O2/c1-17-8-5-12(6-9-17)10-18-11-13-2-3-14-15(19-13)4-7-16-14/h12-16H,2-11H2,1H3/t13-,14-,15-/m1/s1
InChIKeyYLNBUUULDBJCBV-RBSFLKMASA-N
XLogP1.25
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aR,5R,7aR)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-4-[(1-methylpiperidin-4-yl)methoxymethyl]piperidine
CID 142760200
2-[[(3aR,5S,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide
CID 124547972
(3aS,5R,7aS)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1-[(3S)-oxolan-3-yl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97387215
(3aS,5R,7aS)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97461207
(3aS,5S,7aS)-1-(furan-3-ylmethyl)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97460610
1-methyl-4-[[1-[[4-(piperidin-4-ylmethoxymethyl)piperidin-1-yl]methyl]piperidin-4-yl]methoxymethyl]piperidine
CID 167009683
(3aS,5R,7aS)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1-methylsulfonyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole;2,2,2-trifluoroacetic acid
CID 155826520
1-methyl-4-(2-propylpentoxymethyl)piperidine;4-(piperidin-4-ylmethoxymethyl)piperidine
CID 162741483
(3aS,5R,7aS)-1-methylsulfonyl-5-(oxan-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97387213
(2R,4S)-2-[(2R,5R)-5-ethyloxolan-2-yl]-4-methylpiperidine
CID 124526522
(2S,4R)-2-[(2R,5S)-5-ethyloxolan-2-yl]-4-methylpiperidine
CID 95566939
(3aR,5R,7aR)-5-(oxan-4-ylmethoxymethyl)-1-(oxan-4-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97379169

Frequently Asked Questions

What is the IUPAC name of (3aR,5R,7aR)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole?
The IUPAC name of (3aR,5R,7aR)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole (CID 124547983) is (3aR,5R,7aR)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole.
What is the SMILES notation for (3aR,5R,7aR)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole?
The canonical SMILES for (3aR,5R,7aR)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole is CN1CCC(COC[C@H]2CC[C@H]3NCC[C@H]3O2)CC1.
What is the InChIKey of (3aR,5R,7aR)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole?
The InChIKey is YLNBUUULDBJCBV-RBSFLKMASA-N. The full InChI is InChI=1S/C15H28N2O2/c1-17-8-5-12(6-9-17)10-18-11-13-2-3-14-15(19-13)4-7-16-14/h12-16H,2-11H2,1H3/t13-,14-,15-/m1/s1.
What are the key properties of (3aR,5R,7aR)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole?
(3aR,5R,7aR)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole has a molecular weight of 268.40 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,7aR)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole is sourced from PubChem (CID 124547983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).