1-bis(2-chloro-2-phenylethenyl)phosphorylpiperidine

C21H22Cl2NOP — CID 3666298

IUPAC1-bis(2-chloro-2-phenylethenyl)phosphorylpiperidine
SMILESO=P(C=C(Cl)c1ccccc1)(C=C(Cl)c1ccccc1)N1CCCCC1
InChIInChI=1S/C21H22Cl2NOP/c22-20(18-10-4-1-5-11-18)16-26(25,24-14-8-3-9-15-24)17-21(23)19-12-6-2-7-13-19/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2
InChIKeyDHNBQLHMDIITOY-UHFFFAOYSA-N
MW406.29 g/mol
LogP7.23
Rot. Bonds5

About 1-bis(2-chloro-2-phenylethenyl)phosphorylpiperidine

1-bis(2-chloro-2-phenylethenyl)phosphorylpiperidine (PubChem CID 3666298) has the molecular formula C21H22Cl2NOP and a molecular weight of 406.29 g/mol. Its IUPAC name is 1-bis(2-chloro-2-phenylethenyl)phosphorylpiperidine.

Molecular Properties

Compound Name1-bis(2-chloro-2-phenylethenyl)phosphorylpiperidine
PubChem CID3666298
Molecular FormulaC21H22Cl2NOP
Molecular Weight406.29 g/mol
Exact Mass405.08
IUPAC Name1-bis(2-chloro-2-phenylethenyl)phosphorylpiperidine
SMILESO=P(C=C(Cl)c1ccccc1)(C=C(Cl)c1ccccc1)N1CCCCC1
InChIInChI=1S/C21H22Cl2NOP/c22-20(18-10-4-1-5-11-18)16-26(25,24-14-8-3-9-15-24)17-21(23)19-12-6-2-7-13-19/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2
InChIKeyDHNBQLHMDIITOY-UHFFFAOYSA-N
XLogP7.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.29
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R,5S)-1-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3,5-dimethylpiperidine
CID 2314319
bis(2-chloro-2-phenylethenyl)phosphinic acid
CID 71361509
[(Z)-2-chloro-2-phenylethenyl]phosphonic acid
CID 2249320
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-chloroaniline
CID 6257382
6-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 6270737
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-N-ethylethanamine
CID 6307479
[(Z)-1-chloro-2-diethoxyphosphorylethenyl]benzene
CID 5357177
bis(2-chloro-2-phenylethenyl)-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-sulfanylidene-lambda5-phosphane
CID 7039238
(4aR,9bS)-5-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
CID 2316371
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3-morpholin-4-ylpropan-1-amine
CID 2307349
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-phenylethanamine
CID 2307241
N-bis(2-chloro-2-phenylethenyl)phosphoryl-4-fluoroaniline
CID 3661620

Frequently Asked Questions

What is the IUPAC name of 1-bis(2-chloro-2-phenylethenyl)phosphorylpiperidine?
The IUPAC name of 1-bis(2-chloro-2-phenylethenyl)phosphorylpiperidine (CID 3666298) is 1-bis(2-chloro-2-phenylethenyl)phosphorylpiperidine.
What is the SMILES notation for 1-bis(2-chloro-2-phenylethenyl)phosphorylpiperidine?
The canonical SMILES for 1-bis(2-chloro-2-phenylethenyl)phosphorylpiperidine is O=P(C=C(Cl)c1ccccc1)(C=C(Cl)c1ccccc1)N1CCCCC1.
What is the InChIKey of 1-bis(2-chloro-2-phenylethenyl)phosphorylpiperidine?
The InChIKey is DHNBQLHMDIITOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2NOP/c22-20(18-10-4-1-5-11-18)16-26(25,24-14-8-3-9-15-24)17-21(23)19-12-6-2-7-13-19/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2.
What are the key properties of 1-bis(2-chloro-2-phenylethenyl)phosphorylpiperidine?
1-bis(2-chloro-2-phenylethenyl)phosphorylpiperidine has a molecular weight of 406.29 g/mol, XLogP of 7.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(2-chloro-2-phenylethenyl)phosphorylpiperidine is sourced from PubChem (CID 3666298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).