1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-piperazin-1-ylpropan-2-ol

C15H29N3O2 — CID 65447936

IUPAC1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-piperazin-1-ylpropan-2-ol
SMILESOC(CN1CCNCC1)CN1CCOC2CCCCC21
InChIInChI=1S/C15H29N3O2/c19-13(11-17-7-5-16-6-8-17)12-18-9-10-20-15-4-2-1-3-14(15)18/h13-16,19H,1-12H2
InChIKeyYYQIBMHUMJWDHA-UHFFFAOYSA-N
MW283.42 g/mol
LogP-0.10
Rot. Bonds4

About 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-piperazin-1-ylpropan-2-ol

1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-piperazin-1-ylpropan-2-ol (PubChem CID 65447936) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-piperazin-1-ylpropan-2-ol
PubChem CID65447936
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-piperazin-1-ylpropan-2-ol
SMILESOC(CN1CCNCC1)CN1CCOC2CCCCC21
InChIInChI=1S/C15H29N3O2/c19-13(11-17-7-5-16-6-8-17)12-18-9-10-20-15-4-2-1-3-14(15)18/h13-16,19H,1-12H2
InChIKeyYYQIBMHUMJWDHA-UHFFFAOYSA-N
XLogP-0.10
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

(2R)-1-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-pyrazol-1-ylpropan-2-ol
CID 124786448
4-[2-(azetidin-3-yl)propyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 116679809
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 71892076
4-(piperidin-4-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;hydrochloride
CID 119930605
(4aR,7aS)-4-(2,2-difluoroethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 131038084
1-(2-hydroxy-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 65449436
(2S)-1-(1,4-diazepan-1-yl)-3-morpholin-4-ylpropan-2-ol
CID 95067014
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)butan-2-one
CID 62039938
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3,3-dimethylbutan-2-ol
CID 66452835
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-3-methylbutan-1-amine
CID 65232654
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N'-hydroxy-2-methylpropanimidamide
CID 76917377
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-tert-butyl-2-methylpropan-1-amine
CID 62447852

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-piperazin-1-ylpropan-2-ol (CID 65447936) is 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-piperazin-1-ylpropan-2-ol is OC(CN1CCNCC1)CN1CCOC2CCCCC21.
What is the InChIKey of 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-piperazin-1-ylpropan-2-ol?
The InChIKey is YYQIBMHUMJWDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c19-13(11-17-7-5-16-6-8-17)12-18-9-10-20-15-4-2-1-3-14(15)18/h13-16,19H,1-12H2.
What are the key properties of 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-piperazin-1-ylpropan-2-ol?
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-piperazin-1-ylpropan-2-ol has a molecular weight of 283.42 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 65447936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).