(1S,3R)-7-(2-phenylethyl)-7-azaspiro[3.5]nonane-1,3-diol

C16H23NO2 — CID 72916080

IUPAC(1S,3R)-7-(2-phenylethyl)-7-azaspiro[3.5]nonane-1,3-diol
SMILESO[C@@H]1C[C@H](O)C12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C16H23NO2/c18-14-12-15(19)16(14)7-10-17(11-8-16)9-6-13-4-2-1-3-5-13/h1-5,14-15,18-19H,6-12H2/t14-,15+
InChIKeyFIQVKYRFCQBIPI-GASCZTMLSA-N
MW261.36 g/mol
LogP1.44
Rot. Bonds3

About (1S,3R)-7-(2-phenylethyl)-7-azaspiro[3.5]nonane-1,3-diol

(1S,3R)-7-(2-phenylethyl)-7-azaspiro[3.5]nonane-1,3-diol (PubChem CID 72916080) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (1S,3R)-7-(2-phenylethyl)-7-azaspiro[3.5]nonane-1,3-diol.

Molecular Properties

Compound Name(1S,3R)-7-(2-phenylethyl)-7-azaspiro[3.5]nonane-1,3-diol
PubChem CID72916080
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(1S,3R)-7-(2-phenylethyl)-7-azaspiro[3.5]nonane-1,3-diol
SMILESO[C@@H]1C[C@H](O)C12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C16H23NO2/c18-14-12-15(19)16(14)7-10-17(11-8-16)9-6-13-4-2-1-3-5-13/h1-5,14-15,18-19H,6-12H2/t14-,15+
InChIKeyFIQVKYRFCQBIPI-GASCZTMLSA-N
XLogP1.44
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,3R)-7-(2-phenylethyl)-7-azaspiro[3.5]nonane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-3-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-N-methylpropanamide
CID 72918991
4-methyl-1-(2-phenylethyl)azepan-4-ol
CID 107408153
4-(difluoromethyl)-1-(2-phenylethyl)piperidin-4-ol
CID 80604289
(4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
CID 135089439
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine
CID 159010718
(3S,4R)-4-(hydroxymethyl)-1-(2-phenylethyl)-4-propylpiperidin-3-ol
CID 155912185
5-(2-phenylethyl)-5-azaspiro[2.4]heptane
CID 142337171
formic acid;(4R,5R)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
CID 154915709
7-benzyl-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 111457282
4-phenyl-8-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 155872026
1-(2-chloroprop-2-enyl)-4-(2-phenylethyl)piperazine
CID 47018464

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-7-(2-phenylethyl)-7-azaspiro[3.5]nonane-1,3-diol?
The IUPAC name of (1S,3R)-7-(2-phenylethyl)-7-azaspiro[3.5]nonane-1,3-diol (CID 72916080) is (1S,3R)-7-(2-phenylethyl)-7-azaspiro[3.5]nonane-1,3-diol.
What is the SMILES notation for (1S,3R)-7-(2-phenylethyl)-7-azaspiro[3.5]nonane-1,3-diol?
The canonical SMILES for (1S,3R)-7-(2-phenylethyl)-7-azaspiro[3.5]nonane-1,3-diol is O[C@@H]1C[C@H](O)C12CCN(CCc1ccccc1)CC2.
What is the InChIKey of (1S,3R)-7-(2-phenylethyl)-7-azaspiro[3.5]nonane-1,3-diol?
The InChIKey is FIQVKYRFCQBIPI-GASCZTMLSA-N. The full InChI is InChI=1S/C16H23NO2/c18-14-12-15(19)16(14)7-10-17(11-8-16)9-6-13-4-2-1-3-5-13/h1-5,14-15,18-19H,6-12H2/t14-,15+.
What are the key properties of (1S,3R)-7-(2-phenylethyl)-7-azaspiro[3.5]nonane-1,3-diol?
(1S,3R)-7-(2-phenylethyl)-7-azaspiro[3.5]nonane-1,3-diol has a molecular weight of 261.36 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-7-(2-phenylethyl)-7-azaspiro[3.5]nonane-1,3-diol is sourced from PubChem (CID 72916080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).