(7S)-7-methyl-8-[(1S)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane

C16H23NO2 — CID 102337608

IUPAC(7S)-7-methyl-8-[(1S)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESC[C@H]1CC2(CCN1[C@@H](C)c1ccccc1)OCCO2
InChIInChI=1S/C16H23NO2/c1-13-12-16(18-10-11-19-16)8-9-17(13)14(2)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyUDBVIFASMYPJNL-KBPBESRZSA-N
MW261.36 g/mol
LogP2.97
Rot. Bonds2

About (7S)-7-methyl-8-[(1S)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane

(7S)-7-methyl-8-[(1S)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 102337608) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (7S)-7-methyl-8-[(1S)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(7S)-7-methyl-8-[(1S)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID102337608
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(7S)-7-methyl-8-[(1S)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESC[C@H]1CC2(CCN1[C@@H](C)c1ccccc1)OCCO2
InChIInChI=1S/C16H23NO2/c1-13-12-16(18-10-11-19-16)8-9-17(13)14(2)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyUDBVIFASMYPJNL-KBPBESRZSA-N
XLogP2.97
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-methyl-8-[(1S)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of (7S)-7-methyl-8-[(1S)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 102337608) is (7S)-7-methyl-8-[(1S)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (7S)-7-methyl-8-[(1S)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for (7S)-7-methyl-8-[(1S)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane is C[C@H]1CC2(CCN1[C@@H](C)c1ccccc1)OCCO2.
What is the InChIKey of (7S)-7-methyl-8-[(1S)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is UDBVIFASMYPJNL-KBPBESRZSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13-12-16(18-10-11-19-16)8-9-17(13)14(2)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (7S)-7-methyl-8-[(1S)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
(7S)-7-methyl-8-[(1S)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 261.36 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-methyl-8-[(1S)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 102337608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).