(1S,3R)-7-[(E)-2-methyl-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonane-1,3-diol

C18H25NO2 — CID 86283291

IUPAC(1S,3R)-7-[(E)-2-methyl-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonane-1,3-diol
SMILESC/C(=C\c1ccccc1)CN1CCC2(CC1)[C@H](O)C[C@@H]2O
InChIInChI=1S/C18H25NO2/c1-14(11-15-5-3-2-4-6-15)13-19-9-7-18(8-10-19)16(20)12-17(18)21/h2-6,11,16-17,20-21H,7-10,12-13H2,1H3/b14-11+/t16-,17+
InChIKeyZJPQTAODQNSUGZ-OUMJGCBFSA-N
MW287.40 g/mol
LogP2.30
Rot. Bonds3

About (1S,3R)-7-[(E)-2-methyl-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonane-1,3-diol

(1S,3R)-7-[(E)-2-methyl-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonane-1,3-diol (PubChem CID 86283291) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (1S,3R)-7-[(E)-2-methyl-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonane-1,3-diol.

Molecular Properties

Compound Name(1S,3R)-7-[(E)-2-methyl-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonane-1,3-diol
PubChem CID86283291
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(1S,3R)-7-[(E)-2-methyl-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonane-1,3-diol
SMILESC/C(=C\c1ccccc1)CN1CCC2(CC1)[C@H](O)C[C@@H]2O
InChIInChI=1S/C18H25NO2/c1-14(11-15-5-3-2-4-6-15)13-19-9-7-18(8-10-19)16(20)12-17(18)21/h2-6,11,16-17,20-21H,7-10,12-13H2,1H3/b14-11+/t16-,17+
InChIKeyZJPQTAODQNSUGZ-OUMJGCBFSA-N
XLogP2.30
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,3R)-7-[(E)-2-methyl-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonane-1,3-diol with MolForge

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Related Compounds

{3-benzyl-1-[(2E)-2-methylbut-2-en-1-yl]piperidin-3-yl}methanol
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[1-Cyclobutyl-4-(3-phenylpropyl)-4-piperidinyl]methanol
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(4-Benzyl-1-methylpiperidin-4-yl)methanol
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4-Piperidinemethanol, 1-methyl-4-phenyl-
CID 199461
{4-(2-phenylethyl)-1-[(2E)-3-phenyl-2-propen-1-yl]-4-piperidinyl}methanol
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(1S)-1-cyclohexyl-3-[(3R,4R)-3,4-dimethyl-4-phenylpiperidin-1-yl]propan-1-ol
CID 118711887
[1-[(2E)-3-phenylprop-2-en-1-yl]-4-(tetrahydro-2H-pyran-2-ylmethyl)piperidin-4-yl]methanol
CID 16191776
[3-(2-Methoxyethyl)-1-(3-phenylpropyl)-3-piperidinyl]methanol
CID 72881605
(1R*,3S*)-7-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 72884205
N-benzyl-3-[(1R*,3S*)-1,3-dihydroxy-7-azaspiro[3.5]non-7-yl]-N-methylpropanamide
CID 72918991
7-[(3,4-Difluorophenyl)methyl]-3-methoxy-7-azaspiro[3.5]nonane
CID 110197972
(2S,3R,6R)-1,2-dimethyl-6-(9-phenylnonyl)piperidin-3-ol
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Frequently Asked Questions

What is the IUPAC name of (1S,3R)-7-[(E)-2-methyl-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonane-1,3-diol?
The IUPAC name of (1S,3R)-7-[(E)-2-methyl-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonane-1,3-diol (CID 86283291) is (1S,3R)-7-[(E)-2-methyl-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonane-1,3-diol.
What is the SMILES notation for (1S,3R)-7-[(E)-2-methyl-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonane-1,3-diol?
The canonical SMILES for (1S,3R)-7-[(E)-2-methyl-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonane-1,3-diol is C/C(=C\c1ccccc1)CN1CCC2(CC1)[C@H](O)C[C@@H]2O.
What is the InChIKey of (1S,3R)-7-[(E)-2-methyl-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonane-1,3-diol?
The InChIKey is ZJPQTAODQNSUGZ-OUMJGCBFSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14(11-15-5-3-2-4-6-15)13-19-9-7-18(8-10-19)16(20)12-17(18)21/h2-6,11,16-17,20-21H,7-10,12-13H2,1H3/b14-11+/t16-,17+.
What are the key properties of (1S,3R)-7-[(E)-2-methyl-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonane-1,3-diol?
(1S,3R)-7-[(E)-2-methyl-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonane-1,3-diol has a molecular weight of 287.40 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-7-[(E)-2-methyl-3-phenylprop-2-enyl]-7-azaspiro[3.5]nonane-1,3-diol is sourced from PubChem (CID 86283291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).