[2,2-bis(1-adamantyl)piperidin-1-yl]-phenylphosphane

C31H44NP — CID 118112414

IUPAC[2,2-bis(1-adamantyl)piperidin-1-yl]-phenylphosphane
SMILESc1ccc(PN2CCCCC2(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C31H44NP/c1-2-6-28(7-3-1)33-32-9-5-4-8-31(32,29-16-22-10-23(17-29)12-24(11-22)18-29)30-19-25-13-26(20-30)15-27(14-25)21-30/h1-3,6-7,22-27,33H,4-5,8-21H2
InChIKeyWSODDMGETNLSGS-UHFFFAOYSA-N
MW461.67 g/mol
LogP7.56
Rot. Bonds4

About [2,2-bis(1-adamantyl)piperidin-1-yl]-phenylphosphane

[2,2-bis(1-adamantyl)piperidin-1-yl]-phenylphosphane (PubChem CID 118112414) has the molecular formula C31H44NP and a molecular weight of 461.67 g/mol. Its IUPAC name is [2,2-bis(1-adamantyl)piperidin-1-yl]-phenylphosphane.

Molecular Properties

Compound Name[2,2-bis(1-adamantyl)piperidin-1-yl]-phenylphosphane
PubChem CID118112414
Molecular FormulaC31H44NP
Molecular Weight461.67 g/mol
Exact Mass461.32
IUPAC Name[2,2-bis(1-adamantyl)piperidin-1-yl]-phenylphosphane
SMILESc1ccc(PN2CCCCC2(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C31H44NP/c1-2-6-28(7-3-1)33-32-9-5-4-8-31(32,29-16-22-10-23(17-29)12-24(11-22)18-29)30-19-25-13-26(20-30)15-27(14-25)21-30/h1-3,6-7,22-27,33H,4-5,8-21H2
InChIKeyWSODDMGETNLSGS-UHFFFAOYSA-N
XLogP7.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.67
LogP ≤ 57.56
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

1-adamantyl-phenyl-piperidin-1-ylphosphane
CID 174986647
1-[[5-(1-adamantyl)-5-phenyloxolan-3-yl]methyl]piperidine
CID 46932398
2-(1-adamantyl)-2-phenylpyrrolidine-1-carboxylic acid
CID 67480127
1-[(3R,5R)-3,5-diphenyl-1-bicyclo[2.2.2]octanyl]pyrrolidine
CID 11256011
1-(1,2-diphenylcyclopropyl)piperidine
CID 86177466
1-adamantyl(diphenyl)sulfanium
CID 58937302
3-(1-adamantylimino)-2-phenyl-4-piperidin-1-yl-2-azaspiro[4.5]decan-1-one
CID 17039087
(8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 101053650
1-[1-(3-phenylpropyl)cyclohexyl]piperidine
CID 71415432
1-[1-(4-phenylphenyl)cyclohexyl]piperidine
CID 12704483
(4R)-5-(1-adamantylimino)-3,3-dimethyl-1-phenyl-4-piperidin-1-ylpyrrolidine-2-thione
CID 98291133
3-(1-adamantyl)-1-pentyl-3-phenylpiperidine;hydrochloride
CID 90331301

Frequently Asked Questions

What is the IUPAC name of [2,2-bis(1-adamantyl)piperidin-1-yl]-phenylphosphane?
The IUPAC name of [2,2-bis(1-adamantyl)piperidin-1-yl]-phenylphosphane (CID 118112414) is [2,2-bis(1-adamantyl)piperidin-1-yl]-phenylphosphane.
What is the SMILES notation for [2,2-bis(1-adamantyl)piperidin-1-yl]-phenylphosphane?
The canonical SMILES for [2,2-bis(1-adamantyl)piperidin-1-yl]-phenylphosphane is c1ccc(PN2CCCCC2(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of [2,2-bis(1-adamantyl)piperidin-1-yl]-phenylphosphane?
The InChIKey is WSODDMGETNLSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44NP/c1-2-6-28(7-3-1)33-32-9-5-4-8-31(32,29-16-22-10-23(17-29)12-24(11-22)18-29)30-19-25-13-26(20-30)15-27(14-25)21-30/h1-3,6-7,22-27,33H,4-5,8-21H2.
What are the key properties of [2,2-bis(1-adamantyl)piperidin-1-yl]-phenylphosphane?
[2,2-bis(1-adamantyl)piperidin-1-yl]-phenylphosphane has a molecular weight of 461.67 g/mol, XLogP of 7.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis(1-adamantyl)piperidin-1-yl]-phenylphosphane is sourced from PubChem (CID 118112414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).