4-azido-1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)piperidine

C19H26N4O2 — CID 10337449

IUPAC4-azido-1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)piperidine
SMILES[N-]=[N+]=NC1CCN(C2(c3ccccc3)CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C19H26N4O2/c20-22-21-17-6-12-23(13-7-17)18(16-4-2-1-3-5-16)8-10-19(11-9-18)24-14-15-25-19/h1-5,17H,6-15H2
InChIKeyVDOVHHWEIQIZND-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.97
Rot. Bonds3

About 4-azido-1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)piperidine

4-azido-1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)piperidine (PubChem CID 10337449) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-azido-1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)piperidine.

Molecular Properties

Compound Name4-azido-1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)piperidine
PubChem CID10337449
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name4-azido-1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)piperidine
SMILES[N-]=[N+]=NC1CCN(C2(c3ccccc3)CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C19H26N4O2/c20-22-21-17-6-12-23(13-7-17)18(16-4-2-1-3-5-16)8-10-19(11-9-18)24-14-15-25-19/h1-5,17H,6-15H2
InChIKeyVDOVHHWEIQIZND-UHFFFAOYSA-N
XLogP3.97
TPSA70.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-(1-phenylcyclopropyl)piperazine
CID 137320313
1-(1-phenylcyclopropyl)piperazine;dihydrochloride
CID 53407087
4-phenyl-1-(1-phenylcyclohexyl)piperidine;hydrochloride
CID 3030621
(8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 101053650
ethane;8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 91262908
8-methoxy-8-phenyl-1,4-dioxaspiro[4.5]decane
CID 22492982
(2S,4R)-4-azido-2-phenyloxane
CID 156594188
2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine
CID 126480378
3-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidin-2-one
CID 149431942
(3S)-3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxy-1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidin-2-one
CID 87826917
3-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 10316909
[(2R,3S)-3-azido-2-phenyloxan-2-yl]-phenylmethanone
CID 139185418

Frequently Asked Questions

What is the IUPAC name of 4-azido-1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)piperidine?
The IUPAC name of 4-azido-1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)piperidine (CID 10337449) is 4-azido-1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)piperidine.
What is the SMILES notation for 4-azido-1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)piperidine?
The canonical SMILES for 4-azido-1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)piperidine is [N-]=[N+]=NC1CCN(C2(c3ccccc3)CCC3(CC2)OCCO3)CC1.
What is the InChIKey of 4-azido-1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)piperidine?
The InChIKey is VDOVHHWEIQIZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c20-22-21-17-6-12-23(13-7-17)18(16-4-2-1-3-5-16)8-10-19(11-9-18)24-14-15-25-19/h1-5,17H,6-15H2.
What are the key properties of 4-azido-1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)piperidine?
4-azido-1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)piperidine has a molecular weight of 342.44 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)piperidine is sourced from PubChem (CID 10337449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).