5-(piperidin-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-1,4,2-dioxazine

C19H28N4O2 — CID 172524093

IUPAC5-(piperidin-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-1,4,2-dioxazine
SMILESc1ccc(N2CCC(C3=NOCC(CN4CCCCC4)O3)CC2)nc1
InChIInChI=1S/C19H28N4O2/c1-4-10-22(11-5-1)14-17-15-24-21-19(25-17)16-7-12-23(13-8-16)18-6-2-3-9-20-18/h2-3,6,9,16-17H,1,4-5,7-8,10-15H2
InChIKeyWPLNMRMTIVOXCR-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.51
Rot. Bonds4

About 5-(piperidin-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-1,4,2-dioxazine

5-(piperidin-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-1,4,2-dioxazine (PubChem CID 172524093) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 5-(piperidin-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-1,4,2-dioxazine.

Molecular Properties

Compound Name5-(piperidin-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-1,4,2-dioxazine
PubChem CID172524093
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name5-(piperidin-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-1,4,2-dioxazine
SMILESc1ccc(N2CCC(C3=NOCC(CN4CCCCC4)O3)CC2)nc1
InChIInChI=1S/C19H28N4O2/c1-4-10-22(11-5-1)14-17-15-24-21-19(25-17)16-7-12-23(13-8-16)18-6-2-3-9-20-18/h2-3,6,9,16-17H,1,4-5,7-8,10-15H2
InChIKeyWPLNMRMTIVOXCR-UHFFFAOYSA-N
XLogP2.51
TPSA50.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(piperidin-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-1,4,2-dioxazine with MolForge

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Related Compounds

2-[4-[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 10001983
ethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
CID 171070111
ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
CID 171069831
ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine
CID 143719277
cyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 52507166
(3R,5R)-5-[5-(piperidin-1-ylmethyl)-5,6-dihydro-1,4,2-dioxazin-3-yl]pyrrolidin-3-amine
CID 172524033
1-[[(1R,3R)-3-phenylcyclohexyl]methyl]-4-pyridin-2-ylpiperazine
CID 142637683
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
CID 6040
(1-pyridin-2-ylpiperidin-4-yl)methanamine;dihydrochloride
CID 140971287
2-cyclopropyl-4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 133300278
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559215

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-1,4,2-dioxazine?
The IUPAC name of 5-(piperidin-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-1,4,2-dioxazine (CID 172524093) is 5-(piperidin-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-1,4,2-dioxazine.
What is the SMILES notation for 5-(piperidin-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-1,4,2-dioxazine?
The canonical SMILES for 5-(piperidin-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-1,4,2-dioxazine is c1ccc(N2CCC(C3=NOCC(CN4CCCCC4)O3)CC2)nc1.
What is the InChIKey of 5-(piperidin-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-1,4,2-dioxazine?
The InChIKey is WPLNMRMTIVOXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-4-10-22(11-5-1)14-17-15-24-21-19(25-17)16-7-12-23(13-8-16)18-6-2-3-9-20-18/h2-3,6,9,16-17H,1,4-5,7-8,10-15H2.
What are the key properties of 5-(piperidin-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-1,4,2-dioxazine?
5-(piperidin-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-1,4,2-dioxazine has a molecular weight of 344.46 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)-5,6-dihydro-1,4,2-dioxazine is sourced from PubChem (CID 172524093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).