formic acid;(4R,5R)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol

C18H27NO3 — CID 154915709

IUPACformic acid;(4R,5R)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
SMILESO=CO.O[C@@H]1CCC[C@]12CCCN(CCc1ccccc1)C2
InChIInChI=1S/C17H25NO.CH2O2/c19-16-8-4-10-17(16)11-5-12-18(14-17)13-9-15-6-2-1-3-7-15;2-1-3/h1-3,6-7,16,19H,4-5,8-14H2;1H,(H,2,3)/t16-,17-;/m1./s1
InChIKeyBUVZWBQVXRWEEL-GBNZRNLASA-N
MW305.42 g/mol
LogP2.56
Rot. Bonds3

About formic acid;(4R,5R)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol

formic acid;(4R,5R)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol (PubChem CID 154915709) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is formic acid;(4R,5R)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Nameformic acid;(4R,5R)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
PubChem CID154915709
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Nameformic acid;(4R,5R)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
SMILESO=CO.O[C@@H]1CCC[C@]12CCCN(CCc1ccccc1)C2
InChIInChI=1S/C17H25NO.CH2O2/c19-16-8-4-10-17(16)11-5-12-18(14-17)13-9-15-6-2-1-3-7-15;2-1-3/h1-3,6-7,16,19H,4-5,8-14H2;1H,(H,2,3)/t16-,17-;/m1./s1
InChIKeyBUVZWBQVXRWEEL-GBNZRNLASA-N
XLogP2.56
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
CID 135089439
(4R,5R)-7-(4-phenylbutyl)-7-azaspiro[4.5]decan-4-ol
CID 135120621
formic acid;(4R,5S)-7-(3-phenylmethoxypropyl)-7-azaspiro[4.5]decan-4-ol
CID 154918067
formic acid;(4R,5R)-7-[[4-(2-phenylethoxy)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol
CID 154918583
(4R,5S)-7-(4-phenylmethoxybutyl)-7-azaspiro[4.5]decan-4-ol
CID 135098288
(4R,5S)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[4.5]decan-4-ol
CID 165422452
7-benzyl-7-azaspiro[4.5]decan-10-ol
CID 82384805
3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 117011828
(4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 135097855
3-anilino-N,N-dimethyl-1-(2-phenylethyl)piperidine-3-carboxamide;formic acid
CID 171692325
(1S,3R)-7-(2-phenylethyl)-7-azaspiro[3.5]nonane-1,3-diol
CID 72916080
(4R,5R)-7-[(2,6-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 135091462

Frequently Asked Questions

What is the IUPAC name of formic acid;(4R,5R)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol?
The IUPAC name of formic acid;(4R,5R)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol (CID 154915709) is formic acid;(4R,5R)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol.
What is the SMILES notation for formic acid;(4R,5R)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol?
The canonical SMILES for formic acid;(4R,5R)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol is O=CO.O[C@@H]1CCC[C@]12CCCN(CCc1ccccc1)C2.
What is the InChIKey of formic acid;(4R,5R)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol?
The InChIKey is BUVZWBQVXRWEEL-GBNZRNLASA-N. The full InChI is InChI=1S/C17H25NO.CH2O2/c19-16-8-4-10-17(16)11-5-12-18(14-17)13-9-15-6-2-1-3-7-15;2-1-3/h1-3,6-7,16,19H,4-5,8-14H2;1H,(H,2,3)/t16-,17-;/m1./s1.
What are the key properties of formic acid;(4R,5R)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol?
formic acid;(4R,5R)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol has a molecular weight of 305.42 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;(4R,5R)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol is sourced from PubChem (CID 154915709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).