2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl-triphenylphosphanium

C30H36NO2P — CID 58723477

IUPAC2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl-triphenylphosphanium
SMILESCC(C)(C)OC(=O)N1CCC([CH-]C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H36NO2P/c1-30(2,3)33-29(32)31-22-19-25(20-23-31)21-24-34(26-13-7-4-8-14-26,27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-18,21,25H,19-20,22-24H2,1-3H3
InChIKeyQPAXXEWZMQCXKZ-UHFFFAOYSA-N
MW473.60 g/mol
LogP5.83
Rot. Bonds6

About 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl-triphenylphosphanium

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl-triphenylphosphanium (PubChem CID 58723477) has the molecular formula C30H36NO2P and a molecular weight of 473.60 g/mol. Its IUPAC name is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl-triphenylphosphanium.

Molecular Properties

Compound Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl-triphenylphosphanium
PubChem CID58723477
Molecular FormulaC30H36NO2P
Molecular Weight473.60 g/mol
Exact Mass473.25
IUPAC Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl-triphenylphosphanium
SMILESCC(C)(C)OC(=O)N1CCC([CH-]C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H36NO2P/c1-30(2,3)33-29(32)31-22-19-25(20-23-31)21-24-34(26-13-7-4-8-14-26,27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-18,21,25H,19-20,22-24H2,1-3H3
InChIKeyQPAXXEWZMQCXKZ-UHFFFAOYSA-N
XLogP5.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.60
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl-triphenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-(-)-N-BOC-4-Diphenylphosphino-2-diphenylphosphinomethyl-pyrrolidine
CID 10209545
Tert-butyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate
CID 4428041
(2S,4S)-2-(Diphenylphosphinomethyl)-4-(dicyclohexylphosphino)-N-(t-butoxycarbonyl)pyrrolidine
CID 11731422
(2-(1-(tert-Butoxycarbonyl)piperidin-4-yl)ethyl)triphenylphosphonium iodide
CID 21180692
Tert-butyl 2,4-bis(diphenylphosphanyl)pyrrolidine-1-carboxylate
CID 85298166
(3-t-Butoxycarbonyl-3-azabicyclo[3.3.1]non-9-yl)triphenylphosphonium iodide
CID 129744281
Tert-butyl 4-(2,2-diphenylethenyl)piperidine-1-carboxylate
CID 154707143
Tert-butyl 4-[2,2-bis(4-methylphenyl)ethenyl]piperidine-1-carboxylate
CID 154722684
Tert-butyl 2-(2-(bromotriphenyl-l5-phosphaneyl)ethyl)pyrrolidine-1-carboxylate
CID 156025044
CID 164666502
CID 164666502
Tert-butyl 4-[[iodo(triphenyl)-lambda5-phosphanyl]oxymethyl]piperidine-1-carboxylate
CID 164666503
2-(1-Acetylpiperidin-4-yl)ethyl-triphenylphosphanium bromide
CID 24193793

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl-triphenylphosphanium?
The IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl-triphenylphosphanium (CID 58723477) is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl-triphenylphosphanium.
What is the SMILES notation for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl-triphenylphosphanium?
The canonical SMILES for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl-triphenylphosphanium is CC(C)(C)OC(=O)N1CCC([CH-]C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl-triphenylphosphanium?
The InChIKey is QPAXXEWZMQCXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36NO2P/c1-30(2,3)33-29(32)31-22-19-25(20-23-31)21-24-34(26-13-7-4-8-14-26,27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-18,21,25H,19-20,22-24H2,1-3H3.
What are the key properties of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl-triphenylphosphanium?
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl-triphenylphosphanium has a molecular weight of 473.60 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl-triphenylphosphanium is sourced from PubChem (CID 58723477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).