(2S,3R)-3-diphenylphosphoryl-1-[(2R)-piperidin-2-yl]butan-2-ol

C21H28NO2P — CID 10089710

IUPAC(2S,3R)-3-diphenylphosphoryl-1-[(2R)-piperidin-2-yl]butan-2-ol
SMILESC[C@H]([C@@H](O)C[C@H]1CCCCN1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28NO2P/c1-17(21(23)16-18-10-8-9-15-22-18)25(24,19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-7,11-14,17-18,21-23H,8-10,15-16H2,1H3/t17-,18-,21+/m1/s1
InChIKeyPFCZGPGFZUYVNK-OPYAIIAOSA-N
MW357.43 g/mol
LogP3.28
Rot. Bonds6

About (2S,3R)-3-diphenylphosphoryl-1-[(2R)-piperidin-2-yl]butan-2-ol

(2S,3R)-3-diphenylphosphoryl-1-[(2R)-piperidin-2-yl]butan-2-ol (PubChem CID 10089710) has the molecular formula C21H28NO2P and a molecular weight of 357.43 g/mol. Its IUPAC name is (2S,3R)-3-diphenylphosphoryl-1-[(2R)-piperidin-2-yl]butan-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-diphenylphosphoryl-1-[(2R)-piperidin-2-yl]butan-2-ol
PubChem CID10089710
Molecular FormulaC21H28NO2P
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name(2S,3R)-3-diphenylphosphoryl-1-[(2R)-piperidin-2-yl]butan-2-ol
SMILESC[C@H]([C@@H](O)C[C@H]1CCCCN1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28NO2P/c1-17(21(23)16-18-10-8-9-15-22-18)25(24,19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-7,11-14,17-18,21-23H,8-10,15-16H2,1H3/t17-,18-,21+/m1/s1
InChIKeyPFCZGPGFZUYVNK-OPYAIIAOSA-N
XLogP3.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-phenyl-2-[(2S)-piperidin-2-yl]ethanol
CID 10856632
(1R)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788130
(1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788131
3,3-diphenyl-1-piperidin-2-ylbutan-2-ol
CID 22237347
(2R)-1-[methyl(diphenyl)silyl]-3-[(2S)-piperidin-2-yl]propan-2-ol
CID 166022802
2-phenyl-N-(piperidin-2-ylmethyl)propanamide
CID 114028770
N-benzyl-3-piperidin-2-yl-N-propan-2-ylpropanamide
CID 62212408
(2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid
CID 124547717
3-methyl-2-(piperidin-2-ylmethylamino)butanoic acid
CID 106633804
1-(azepan-2-yl)-N-phenylmethoxypropan-2-amine
CID 82710017
2-phenyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626684
ethane;1-pyrrolidin-2-ylpropan-2-ol
CID 145416338

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-diphenylphosphoryl-1-[(2R)-piperidin-2-yl]butan-2-ol?
The IUPAC name of (2S,3R)-3-diphenylphosphoryl-1-[(2R)-piperidin-2-yl]butan-2-ol (CID 10089710) is (2S,3R)-3-diphenylphosphoryl-1-[(2R)-piperidin-2-yl]butan-2-ol.
What is the SMILES notation for (2S,3R)-3-diphenylphosphoryl-1-[(2R)-piperidin-2-yl]butan-2-ol?
The canonical SMILES for (2S,3R)-3-diphenylphosphoryl-1-[(2R)-piperidin-2-yl]butan-2-ol is C[C@H]([C@@H](O)C[C@H]1CCCCN1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3R)-3-diphenylphosphoryl-1-[(2R)-piperidin-2-yl]butan-2-ol?
The InChIKey is PFCZGPGFZUYVNK-OPYAIIAOSA-N. The full InChI is InChI=1S/C21H28NO2P/c1-17(21(23)16-18-10-8-9-15-22-18)25(24,19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-7,11-14,17-18,21-23H,8-10,15-16H2,1H3/t17-,18-,21+/m1/s1.
What are the key properties of (2S,3R)-3-diphenylphosphoryl-1-[(2R)-piperidin-2-yl]butan-2-ol?
(2S,3R)-3-diphenylphosphoryl-1-[(2R)-piperidin-2-yl]butan-2-ol has a molecular weight of 357.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-diphenylphosphoryl-1-[(2R)-piperidin-2-yl]butan-2-ol is sourced from PubChem (CID 10089710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).