[4-(1,2-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl formate

C15H19NO4 — CID 18930299

IUPAC[4-(1,2-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl formate
SMILESO=COCc1ccc(N2CCC3(CCOO3)CC2)cc1
InChIInChI=1S/C15H19NO4/c17-12-18-11-13-1-3-14(4-2-13)16-8-5-15(6-9-16)7-10-19-20-15/h1-4,12H,5-11H2
InChIKeyNKSWTPFNSIZRTQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.05
Rot. Bonds4

About [4-(1,2-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl formate

[4-(1,2-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl formate (PubChem CID 18930299) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [4-(1,2-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl formate.

Molecular Properties

Compound Name[4-(1,2-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl formate
PubChem CID18930299
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[4-(1,2-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl formate
SMILESO=COCc1ccc(N2CCC3(CCOO3)CC2)cc1
InChIInChI=1S/C15H19NO4/c17-12-18-11-13-1-3-14(4-2-13)16-8-5-15(6-9-16)7-10-19-20-15/h1-4,12H,5-11H2
InChIKeyNKSWTPFNSIZRTQ-UHFFFAOYSA-N
XLogP2.05
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

[4-(1-fluorocyclopropyl)phenyl]methyl formate
CID 171720322
[1-(4-morpholin-4-ylphenyl)-3-oxopropan-2-yl] formate
CID 145192028
4-(4,4-diethylpiperidin-1-yl)benzaldehyde
CID 63158669
benzyl formate;tert-butyl N-[2-(4-piperazin-1-ylphenyl)ethyl]carbamate
CID 174927688
1-methyl-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutan-1-amine
CID 115765831
[(E)-3-[4-(4-oxopiperidin-1-yl)phenyl]prop-2-enyl] formate
CID 22973674
tert-butyl 3-[3-(formyloxymethyl)phenyl]-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
CID 171475170
(4-piperazin-1-ylphenyl)methyl sulfite
CID 174510900
4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]oxan-4-amine
CID 115758040
4-(4,4-diethoxypiperidin-1-yl)phenol
CID 69481596
4-(4-benzylphenyl)morpholine
CID 11514364
6-(4-bromophenyl)-1-oxa-6-azaspiro[2.5]octane
CID 162742042

Frequently Asked Questions

What is the IUPAC name of [4-(1,2-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl formate?
The IUPAC name of [4-(1,2-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl formate (CID 18930299) is [4-(1,2-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl formate.
What is the SMILES notation for [4-(1,2-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl formate?
The canonical SMILES for [4-(1,2-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl formate is O=COCc1ccc(N2CCC3(CCOO3)CC2)cc1.
What is the InChIKey of [4-(1,2-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl formate?
The InChIKey is NKSWTPFNSIZRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-12-18-11-13-1-3-14(4-2-13)16-8-5-15(6-9-16)7-10-19-20-15/h1-4,12H,5-11H2.
What are the key properties of [4-(1,2-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl formate?
[4-(1,2-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl formate has a molecular weight of 277.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]methyl formate is sourced from PubChem (CID 18930299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).