8-[(1S,2S)-2-benzylcyclopropyl]-1,4-dioxa-8-azaspiro[4.5]decane

C17H23NO2 — CID 135035530

IUPAC8-[(1S,2S)-2-benzylcyclopropyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(C[C@H]2C[C@@H]2N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C17H23NO2/c1-2-4-14(5-3-1)12-15-13-16(15)18-8-6-17(7-9-18)19-10-11-20-17/h1-5,15-16H,6-13H2/t15-,16-/m0/s1
InChIKeyCZZUMLYQGNWXMV-HOTGVXAUSA-N
MW273.38 g/mol
LogP2.46
Rot. Bonds3

About 8-[(1S,2S)-2-benzylcyclopropyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[(1S,2S)-2-benzylcyclopropyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 135035530) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 8-[(1S,2S)-2-benzylcyclopropyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(1S,2S)-2-benzylcyclopropyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID135035530
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name8-[(1S,2S)-2-benzylcyclopropyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(C[C@H]2C[C@@H]2N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C17H23NO2/c1-2-4-14(5-3-1)12-15-13-16(15)18-8-6-17(7-9-18)19-10-11-20-17/h1-5,15-16H,6-13H2/t15-,16-/m0/s1
InChIKeyCZZUMLYQGNWXMV-HOTGVXAUSA-N
XLogP2.46
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[(1S,2S)-2-benzylcyclopropyl]-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

AJ-190/13485012
CID 899309
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
(3S,4R)-3-benzyl-4-(cyclopropylmethoxy)-1-(oxan-4-yl)piperidine
CID 97422525
8-Benzyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 726449
8-[4,4-Bis(4-fluorophenyl)butyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 69024312
8-(2,2-Diphenylethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 74242620
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 15192595
8-[3-[2-(4-Fluorophenyl)ethoxy]propyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 22977307
8-[1-(4-Fluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 51076811
8-(2,2,2-Trifluoro-1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 53619112
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 54101196

Frequently Asked Questions

What is the IUPAC name of 8-[(1S,2S)-2-benzylcyclopropyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(1S,2S)-2-benzylcyclopropyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 135035530) is 8-[(1S,2S)-2-benzylcyclopropyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(1S,2S)-2-benzylcyclopropyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(1S,2S)-2-benzylcyclopropyl]-1,4-dioxa-8-azaspiro[4.5]decane is c1ccc(C[C@H]2C[C@@H]2N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 8-[(1S,2S)-2-benzylcyclopropyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is CZZUMLYQGNWXMV-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-4-14(5-3-1)12-15-13-16(15)18-8-6-17(7-9-18)19-10-11-20-17/h1-5,15-16H,6-13H2/t15-,16-/m0/s1.
What are the key properties of 8-[(1S,2S)-2-benzylcyclopropyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[(1S,2S)-2-benzylcyclopropyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 273.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1S,2S)-2-benzylcyclopropyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 135035530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).