2-(1,4-oxazocan-2-yl)-1,4-oxazocane;hydrochloride

C12H25ClN2O2 — CID 53484266

IUPAC2-(1,4-oxazocan-2-yl)-1,4-oxazocane;hydrochloride
SMILESC1CCOC(C2CNCCCCO2)CNC1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-3-7-15-11(9-13-5-1)12-10-14-6-2-4-8-16-12;/h11-14H,1-10H2;1H
InChIKeyXVPUKTVLOPWXHJ-UHFFFAOYSA-N
MW264.80 g/mol
LogP0.95
Rot. Bonds1

About 2-(1,4-oxazocan-2-yl)-1,4-oxazocane;hydrochloride

2-(1,4-oxazocan-2-yl)-1,4-oxazocane;hydrochloride (PubChem CID 53484266) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 2-(1,4-oxazocan-2-yl)-1,4-oxazocane;hydrochloride.

Molecular Properties

Compound Name2-(1,4-oxazocan-2-yl)-1,4-oxazocane;hydrochloride
PubChem CID53484266
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC Name2-(1,4-oxazocan-2-yl)-1,4-oxazocane;hydrochloride
SMILESC1CCOC(C2CNCCCCO2)CNC1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-3-7-15-11(9-13-5-1)12-10-14-6-2-4-8-16-12;/h11-14H,1-10H2;1H
InChIKeyXVPUKTVLOPWXHJ-UHFFFAOYSA-N
XLogP0.95
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(1S,18S)-2,5,8,11,14,17-hexaoxa-20-azabicyclo[16.3.0]henicosane
CID 102121960
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(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydropyrido[4,3-f][1,4]oxazepine
CID 92720088
(5aR,9aS)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[f][1,4]oxazepine
CID 10241032
(4aS,7aR)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine;dihydrochloride
CID 22857293
[(2S)-1,4-oxazepan-2-yl]methanol
CID 55299577
(4aR)-2,3,4a,5,6,7,8,8a-octahydro-1H-pyrido[3,4-b][1,4]oxazine
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2-(trifluoromethyl)-1,4-oxazepane
CID 63790287

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-oxazocan-2-yl)-1,4-oxazocane;hydrochloride?
The IUPAC name of 2-(1,4-oxazocan-2-yl)-1,4-oxazocane;hydrochloride (CID 53484266) is 2-(1,4-oxazocan-2-yl)-1,4-oxazocane;hydrochloride.
What is the SMILES notation for 2-(1,4-oxazocan-2-yl)-1,4-oxazocane;hydrochloride?
The canonical SMILES for 2-(1,4-oxazocan-2-yl)-1,4-oxazocane;hydrochloride is C1CCOC(C2CNCCCCO2)CNC1.Cl.
What is the InChIKey of 2-(1,4-oxazocan-2-yl)-1,4-oxazocane;hydrochloride?
The InChIKey is XVPUKTVLOPWXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.ClH/c1-3-7-15-11(9-13-5-1)12-10-14-6-2-4-8-16-12;/h11-14H,1-10H2;1H.
What are the key properties of 2-(1,4-oxazocan-2-yl)-1,4-oxazocane;hydrochloride?
2-(1,4-oxazocan-2-yl)-1,4-oxazocane;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-oxazocan-2-yl)-1,4-oxazocane;hydrochloride is sourced from PubChem (CID 53484266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).