(5R)-3-[(3R)-3-methylpiperidin-3-yl]-5-(piperidin-1-ylmethyl)-5,6-dihydro-1,4,2-dioxazine

C15H27N3O2 — CID 172524090

IUPAC(5R)-3-[(3R)-3-methylpiperidin-3-yl]-5-(piperidin-1-ylmethyl)-5,6-dihydro-1,4,2-dioxazine
SMILESC[C@@]1(C2=NOC[C@@H](CN3CCCCC3)O2)CCCNC1
InChIInChI=1S/C15H27N3O2/c1-15(6-5-7-16-12-15)14-17-19-11-13(20-14)10-18-8-3-2-4-9-18/h13,16H,2-12H2,1H3/t13-,15-/m1/s1
InChIKeyMZVBFWLBJTZBMI-UKRRQHHQSA-N
MW281.40 g/mol
LogP1.59
Rot. Bonds3

About (5R)-3-[(3R)-3-methylpiperidin-3-yl]-5-(piperidin-1-ylmethyl)-5,6-dihydro-1,4,2-dioxazine

(5R)-3-[(3R)-3-methylpiperidin-3-yl]-5-(piperidin-1-ylmethyl)-5,6-dihydro-1,4,2-dioxazine (PubChem CID 172524090) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (5R)-3-[(3R)-3-methylpiperidin-3-yl]-5-(piperidin-1-ylmethyl)-5,6-dihydro-1,4,2-dioxazine.

Molecular Properties

Compound Name(5R)-3-[(3R)-3-methylpiperidin-3-yl]-5-(piperidin-1-ylmethyl)-5,6-dihydro-1,4,2-dioxazine
PubChem CID172524090
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(5R)-3-[(3R)-3-methylpiperidin-3-yl]-5-(piperidin-1-ylmethyl)-5,6-dihydro-1,4,2-dioxazine
SMILESC[C@@]1(C2=NOC[C@@H](CN3CCCCC3)O2)CCCNC1
InChIInChI=1S/C15H27N3O2/c1-15(6-5-7-16-12-15)14-17-19-11-13(20-14)10-18-8-3-2-4-9-18/h13,16H,2-12H2,1H3/t13-,15-/m1/s1
InChIKeyMZVBFWLBJTZBMI-UKRRQHHQSA-N
XLogP1.59
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R)-3-[(3R)-3-methylpiperidin-3-yl]-5-(piperidin-1-ylmethyl)-5,6-dihydro-1,4,2-dioxazine with MolForge

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Related Compounds

(5S,6S)-6-methyl-3-(4-methylpiperidin-4-yl)-5-(piperidin-1-ylmethyl)-5,6-dihydro-1,4,2-dioxazine
CID 172523985
(3R,5R)-5-[5-(piperidin-1-ylmethyl)-5,6-dihydro-1,4,2-dioxazin-3-yl]pyrrolidin-3-amine
CID 172524033
(3S,5R)-5-[5-(piperidin-1-ylmethyl)-5,6-dihydro-1,4,2-dioxazin-3-yl]pyrrolidin-3-amine
CID 172524008
3-(pyrrolidin-1-ylmethyl)-2-oxa-7-azaspiro[4.4]nonane
CID 165448349
5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-oxazolidin-2-one
CID 102850340
1-(1,4-dioxaspiro[4.11]hexadecan-3-ylmethyl)piperidine
CID 2832845
1-[[(2R)-oxiran-2-yl]methyl]pyrrolidine
CID 40505235
1-(oxiran-2-ylmethyl)pyrrolidine
CID 13313617
1-[(3-ethylpiperidin-3-yl)methyl]azocane
CID 55166633
N-[(4,6-dimethoxy-3-pyridinyl)methyl]-2-[5-(piperidin-1-ylmethyl)-5,6-dihydro-1,4,2-dioxazin-3-yl]ethanamine
CID 172524038
5-(piperidin-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-1,4,2-dioxazine
CID 172524093
(2R)-2-(piperidin-1-ylmethyl)morpholine
CID 7107506

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(3R)-3-methylpiperidin-3-yl]-5-(piperidin-1-ylmethyl)-5,6-dihydro-1,4,2-dioxazine?
The IUPAC name of (5R)-3-[(3R)-3-methylpiperidin-3-yl]-5-(piperidin-1-ylmethyl)-5,6-dihydro-1,4,2-dioxazine (CID 172524090) is (5R)-3-[(3R)-3-methylpiperidin-3-yl]-5-(piperidin-1-ylmethyl)-5,6-dihydro-1,4,2-dioxazine.
What is the SMILES notation for (5R)-3-[(3R)-3-methylpiperidin-3-yl]-5-(piperidin-1-ylmethyl)-5,6-dihydro-1,4,2-dioxazine?
The canonical SMILES for (5R)-3-[(3R)-3-methylpiperidin-3-yl]-5-(piperidin-1-ylmethyl)-5,6-dihydro-1,4,2-dioxazine is C[C@@]1(C2=NOC[C@@H](CN3CCCCC3)O2)CCCNC1.
What is the InChIKey of (5R)-3-[(3R)-3-methylpiperidin-3-yl]-5-(piperidin-1-ylmethyl)-5,6-dihydro-1,4,2-dioxazine?
The InChIKey is MZVBFWLBJTZBMI-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-15(6-5-7-16-12-15)14-17-19-11-13(20-14)10-18-8-3-2-4-9-18/h13,16H,2-12H2,1H3/t13-,15-/m1/s1.
What are the key properties of (5R)-3-[(3R)-3-methylpiperidin-3-yl]-5-(piperidin-1-ylmethyl)-5,6-dihydro-1,4,2-dioxazine?
(5R)-3-[(3R)-3-methylpiperidin-3-yl]-5-(piperidin-1-ylmethyl)-5,6-dihydro-1,4,2-dioxazine has a molecular weight of 281.40 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(3R)-3-methylpiperidin-3-yl]-5-(piperidin-1-ylmethyl)-5,6-dihydro-1,4,2-dioxazine is sourced from PubChem (CID 172524090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).