8-(piperidin-3-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydrochloride

C13H26ClN3O — CID 120848758

IUPAC8-(piperidin-3-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydrochloride
SMILESC1CNCC(CN2CCN3CCOCC3C2)C1.Cl
InChIInChI=1S/C13H25N3O.ClH/c1-2-12(8-14-3-1)9-15-4-5-16-6-7-17-11-13(16)10-15;/h12-14H,1-11H2;1H
InChIKeyRGMBLCLCGBZWNK-UHFFFAOYSA-N
MW275.82 g/mol
LogP0.42
Rot. Bonds2

About 8-(piperidin-3-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydrochloride

8-(piperidin-3-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydrochloride (PubChem CID 120848758) has the molecular formula C13H26ClN3O and a molecular weight of 275.82 g/mol. Its IUPAC name is 8-(piperidin-3-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydrochloride.

Molecular Properties

Compound Name8-(piperidin-3-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydrochloride
PubChem CID120848758
Molecular FormulaC13H26ClN3O
Molecular Weight275.82 g/mol
Exact Mass275.18
IUPAC Name8-(piperidin-3-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydrochloride
SMILESC1CNCC(CN2CCN3CCOCC3C2)C1.Cl
InChIInChI=1S/C13H25N3O.ClH/c1-2-12(8-14-3-1)9-15-4-5-16-6-7-17-11-13(16)10-15;/h12-14H,1-11H2;1H
InChIKeyRGMBLCLCGBZWNK-UHFFFAOYSA-N
XLogP0.42
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(piperidin-3-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydrochloride with MolForge

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Related Compounds

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CID 63169624
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(3R)-1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;hydrochloride
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3-methyl-4-(piperidin-3-ylmethyl)morpholine
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CID 79932356
2-[2-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanol;hydrochloride
CID 120849803
(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124802901
2-tert-butyl-4-(piperidin-3-ylmethyl)morpholine
CID 120858117
1-cyclopentyl-4-(2-piperidin-3-ylethyl)piperazine
CID 55091230
2-(cyclopropylmethoxymethyl)-4-(piperidin-3-ylmethyl)morpholine;hydrochloride
CID 120852677
2-(piperidin-3-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane;hydrochloride
CID 119931803

Frequently Asked Questions

What is the IUPAC name of 8-(piperidin-3-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydrochloride?
The IUPAC name of 8-(piperidin-3-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydrochloride (CID 120848758) is 8-(piperidin-3-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydrochloride.
What is the SMILES notation for 8-(piperidin-3-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydrochloride?
The canonical SMILES for 8-(piperidin-3-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydrochloride is C1CNCC(CN2CCN3CCOCC3C2)C1.Cl.
What is the InChIKey of 8-(piperidin-3-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydrochloride?
The InChIKey is RGMBLCLCGBZWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.ClH/c1-2-12(8-14-3-1)9-15-4-5-16-6-7-17-11-13(16)10-15;/h12-14H,1-11H2;1H.
What are the key properties of 8-(piperidin-3-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydrochloride?
8-(piperidin-3-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydrochloride has a molecular weight of 275.82 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(piperidin-3-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydrochloride is sourced from PubChem (CID 120848758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).