8-[(2R)-2-phenylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane

C16H23NO2 — CID 134965340

IUPAC8-[(2R)-2-phenylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESC[C@@H](CN1CCC2(CC1)OCCO2)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-14(15-5-3-2-4-6-15)13-17-9-7-16(8-10-17)18-11-12-19-16/h2-6,14H,7-13H2,1H3/t14-/m0/s1
InChIKeyJRAQGGDCBZDVOA-AWEZNQCLSA-N
MW261.37 g/mol
LogP2.63
Rot. Bonds3

About 8-[(2R)-2-phenylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[(2R)-2-phenylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 134965340) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 8-[(2R)-2-phenylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(2R)-2-phenylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID134965340
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name8-[(2R)-2-phenylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESC[C@@H](CN1CCC2(CC1)OCCO2)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-14(15-5-3-2-4-6-15)13-17-9-7-16(8-10-17)18-11-12-19-16/h2-6,14H,7-13H2,1H3/t14-/m0/s1
InChIKeyJRAQGGDCBZDVOA-AWEZNQCLSA-N
XLogP2.63
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Benzyl-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperidine;oxalic acid
CID 156020131
AJ-190/13485012
CID 899309
8-(2-Phenylbutanoyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 2970422
1-Methyl-1-{[2-(1-phenylethyl)-1,3-dioxolan-4-yl]methyl}piperidinium
CID 16188406
4-Benzyl-1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine
CID 127028726
6-Benzyl-7-methyl-1,4-dioxa-7-azaspiro(4,5)decane
CID 128109
1,4-Dioxa-8-azaspiro(4,5)decane, 6-methyl-8-(1-phenylcyclohexyl)-, hydrobromide
CID 58201
{3-[4-(Tert-butyl)phenyl]-2-methylpropyl}ethyl{[2-(methoxymethyl)-2-methyl(1,3-dioxolan-4-yl)]methyl}amine
CID 487664
1-Methyl-1-{[2-(1-phenylethyl)-1,3-dioxolan-4-YL]methyl}piperidin-1-ium
CID 4583714
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2-(3-methylphenyl)ethanone
CID 6464395
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-3,3-diphenylpropan-1-one
CID 32303961
8-Benzyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 726449

Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-2-phenylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(2R)-2-phenylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 134965340) is 8-[(2R)-2-phenylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(2R)-2-phenylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(2R)-2-phenylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane is C[C@@H](CN1CCC2(CC1)OCCO2)c1ccccc1.
What is the InChIKey of 8-[(2R)-2-phenylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is JRAQGGDCBZDVOA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23NO2/c1-14(15-5-3-2-4-6-15)13-17-9-7-16(8-10-17)18-11-12-19-16/h2-6,14H,7-13H2,1H3/t14-/m0/s1.
What are the key properties of 8-[(2R)-2-phenylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[(2R)-2-phenylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 261.37 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-2-phenylpropyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 134965340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).