(3R,5S)-1-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3,5-dimethylpiperidine

C23H26Cl2NOP — CID 2314319

IUPAC(3R,5S)-1-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3,5-dimethylpiperidine
SMILESC[C@@H]1C[C@H](C)CN(P(=O)(/C=C(\Cl)c2ccccc2)/C=C(\Cl)c2ccccc2)C1
InChIInChI=1S/C23H26Cl2NOP/c1-18-13-19(2)15-26(14-18)28(27,16-22(24)20-9-5-3-6-10-20)17-23(25)21-11-7-4-8-12-21/h3-12,16-19H,13-15H2,1-2H3/b22-16-,23-17-/t18-,19+
InChIKeyWWALZUPRANOMKH-PTYHNJSWSA-N
MW434.35 g/mol
LogP7.72
Rot. Bonds5

About (3R,5S)-1-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3,5-dimethylpiperidine

(3R,5S)-1-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3,5-dimethylpiperidine (PubChem CID 2314319) has the molecular formula C23H26Cl2NOP and a molecular weight of 434.35 g/mol. Its IUPAC name is (3R,5S)-1-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3,5-dimethylpiperidine.

Molecular Properties

Compound Name(3R,5S)-1-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3,5-dimethylpiperidine
PubChem CID2314319
Molecular FormulaC23H26Cl2NOP
Molecular Weight434.35 g/mol
Exact Mass433.11
IUPAC Name(3R,5S)-1-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3,5-dimethylpiperidine
SMILESC[C@@H]1C[C@H](C)CN(P(=O)(/C=C(\Cl)c2ccccc2)/C=C(\Cl)c2ccccc2)C1
InChIInChI=1S/C23H26Cl2NOP/c1-18-13-19(2)15-26(14-18)28(27,16-22(24)20-9-5-3-6-10-20)17-23(25)21-11-7-4-8-12-21/h3-12,16-19H,13-15H2,1-2H3/b22-16-,23-17-/t18-,19+
InChIKeyWWALZUPRANOMKH-PTYHNJSWSA-N
XLogP7.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.35
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3,5-dimethylpiperidine?
The IUPAC name of (3R,5S)-1-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3,5-dimethylpiperidine (CID 2314319) is (3R,5S)-1-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3,5-dimethylpiperidine.
What is the SMILES notation for (3R,5S)-1-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3,5-dimethylpiperidine?
The canonical SMILES for (3R,5S)-1-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3,5-dimethylpiperidine is C[C@@H]1C[C@H](C)CN(P(=O)(/C=C(\Cl)c2ccccc2)/C=C(\Cl)c2ccccc2)C1.
What is the InChIKey of (3R,5S)-1-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3,5-dimethylpiperidine?
The InChIKey is WWALZUPRANOMKH-PTYHNJSWSA-N. The full InChI is InChI=1S/C23H26Cl2NOP/c1-18-13-19(2)15-26(14-18)28(27,16-22(24)20-9-5-3-6-10-20)17-23(25)21-11-7-4-8-12-21/h3-12,16-19H,13-15H2,1-2H3/b22-16-,23-17-/t18-,19+.
What are the key properties of (3R,5S)-1-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3,5-dimethylpiperidine?
(3R,5S)-1-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3,5-dimethylpiperidine has a molecular weight of 434.35 g/mol, XLogP of 7.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3,5-dimethylpiperidine is sourced from PubChem (CID 2314319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).