(1R)-3-[2-[(3R)-3-hydroxy-3-phenylpropyl]-2,8-diazaspiro[5.5]undecan-8-yl]-1-phenylpropan-1-ol

C27H38N2O2 — CID 166211934

IUPAC(1R)-3-[2-[(3R)-3-hydroxy-3-phenylpropyl]-2,8-diazaspiro[5.5]undecan-8-yl]-1-phenylpropan-1-ol
SMILESO[C@H](CCN1CCCC2(CCCN(CC[C@@H](O)c3ccccc3)C2)C1)c1ccccc1
InChIInChI=1S/C27H38N2O2/c30-25(23-9-3-1-4-10-23)13-19-28-17-7-15-27(21-28)16-8-18-29(22-27)20-14-26(31)24-11-5-2-6-12-24/h1-6,9-12,25-26,30-31H,7-8,13-22H2/t25-,26-,27?/m1/s1
InChIKeyYMJVUPIGVKIFGK-QMMNWOAZSA-N
MW422.61 g/mol
LogP4.41
Rot. Bonds8

About (1R)-3-[2-[(3R)-3-hydroxy-3-phenylpropyl]-2,8-diazaspiro[5.5]undecan-8-yl]-1-phenylpropan-1-ol

(1R)-3-[2-[(3R)-3-hydroxy-3-phenylpropyl]-2,8-diazaspiro[5.5]undecan-8-yl]-1-phenylpropan-1-ol (PubChem CID 166211934) has the molecular formula C27H38N2O2 and a molecular weight of 422.61 g/mol. Its IUPAC name is (1R)-3-[2-[(3R)-3-hydroxy-3-phenylpropyl]-2,8-diazaspiro[5.5]undecan-8-yl]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R)-3-[2-[(3R)-3-hydroxy-3-phenylpropyl]-2,8-diazaspiro[5.5]undecan-8-yl]-1-phenylpropan-1-ol
PubChem CID166211934
Molecular FormulaC27H38N2O2
Molecular Weight422.61 g/mol
Exact Mass422.29
IUPAC Name(1R)-3-[2-[(3R)-3-hydroxy-3-phenylpropyl]-2,8-diazaspiro[5.5]undecan-8-yl]-1-phenylpropan-1-ol
SMILESO[C@H](CCN1CCCC2(CCCN(CC[C@@H](O)c3ccccc3)C2)C1)c1ccccc1
InChIInChI=1S/C27H38N2O2/c30-25(23-9-3-1-4-10-23)13-19-28-17-7-15-27(21-28)16-8-18-29(22-27)20-14-26(31)24-11-5-2-6-12-24/h1-6,9-12,25-26,30-31H,7-8,13-22H2/t25-,26-,27?/m1/s1
InChIKeyYMJVUPIGVKIFGK-QMMNWOAZSA-N
XLogP4.41
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.61
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(1R)-3-(3-aminopiperidin-1-yl)-1-phenylpropan-1-ol
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1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-3-ol
CID 115873747
ethylcarbamic acid;1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrobromide
CID 21153353
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CID 91244751
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CID 62612441

Frequently Asked Questions

What is the IUPAC name of (1R)-3-[2-[(3R)-3-hydroxy-3-phenylpropyl]-2,8-diazaspiro[5.5]undecan-8-yl]-1-phenylpropan-1-ol?
The IUPAC name of (1R)-3-[2-[(3R)-3-hydroxy-3-phenylpropyl]-2,8-diazaspiro[5.5]undecan-8-yl]-1-phenylpropan-1-ol (CID 166211934) is (1R)-3-[2-[(3R)-3-hydroxy-3-phenylpropyl]-2,8-diazaspiro[5.5]undecan-8-yl]-1-phenylpropan-1-ol.
What is the SMILES notation for (1R)-3-[2-[(3R)-3-hydroxy-3-phenylpropyl]-2,8-diazaspiro[5.5]undecan-8-yl]-1-phenylpropan-1-ol?
The canonical SMILES for (1R)-3-[2-[(3R)-3-hydroxy-3-phenylpropyl]-2,8-diazaspiro[5.5]undecan-8-yl]-1-phenylpropan-1-ol is O[C@H](CCN1CCCC2(CCCN(CC[C@@H](O)c3ccccc3)C2)C1)c1ccccc1.
What is the InChIKey of (1R)-3-[2-[(3R)-3-hydroxy-3-phenylpropyl]-2,8-diazaspiro[5.5]undecan-8-yl]-1-phenylpropan-1-ol?
The InChIKey is YMJVUPIGVKIFGK-QMMNWOAZSA-N. The full InChI is InChI=1S/C27H38N2O2/c30-25(23-9-3-1-4-10-23)13-19-28-17-7-15-27(21-28)16-8-18-29(22-27)20-14-26(31)24-11-5-2-6-12-24/h1-6,9-12,25-26,30-31H,7-8,13-22H2/t25-,26-,27?/m1/s1.
What are the key properties of (1R)-3-[2-[(3R)-3-hydroxy-3-phenylpropyl]-2,8-diazaspiro[5.5]undecan-8-yl]-1-phenylpropan-1-ol?
(1R)-3-[2-[(3R)-3-hydroxy-3-phenylpropyl]-2,8-diazaspiro[5.5]undecan-8-yl]-1-phenylpropan-1-ol has a molecular weight of 422.61 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-[2-[(3R)-3-hydroxy-3-phenylpropyl]-2,8-diazaspiro[5.5]undecan-8-yl]-1-phenylpropan-1-ol is sourced from PubChem (CID 166211934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).