piperidine-1-carboxylic acid;triphenylphosphane

C24H26NO2P — CID 159814521

IUPACpiperidine-1-carboxylic acid;triphenylphosphane
SMILESO=C(O)N1CCCCC1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C6H11NO2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-6(9)7-4-2-1-3-5-7/h1-15H;1-5H2,(H,8,9)
InChIKeyNLLDTTNUGNIJQI-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.60
Rot. Bonds3

About piperidine-1-carboxylic acid;triphenylphosphane

piperidine-1-carboxylic acid;triphenylphosphane (PubChem CID 159814521) has the molecular formula C24H26NO2P and a molecular weight of 391.45 g/mol. Its IUPAC name is piperidine-1-carboxylic acid;triphenylphosphane.

Molecular Properties

Compound Namepiperidine-1-carboxylic acid;triphenylphosphane
PubChem CID159814521
Molecular FormulaC24H26NO2P
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Namepiperidine-1-carboxylic acid;triphenylphosphane
SMILESO=C(O)N1CCCCC1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C6H11NO2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-6(9)7-4-2-1-3-5-7/h1-15H;1-5H2,(H,8,9)
InChIKeyNLLDTTNUGNIJQI-UHFFFAOYSA-N
XLogP4.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(Diphenyl-phosphinoyl)-1-piperidin-1-yl-ethanone
CID 611958
S-[[iodo(triphenyl)-lambda5-phosphanyl]methyl] piperidine-1-carbothioate
CID 13947368
Methyl 2-(diphenylphosphoryl)piperidine-1-carboxylate
CID 71410389
Carboxy-diethyl-[2-[(triphenyl-lambda5-phosphanylidene)amino]ethyl]azanium
CID 134884453
Triphenyl(piperidine-1-carbonylsulfanylmethyl)phosphanium iodide
CID 176444454
(2-Oxo-2-piperidin-1-ylethyl)-triphenylphosphanium chloride
CID 10410076
Piperidinocarbonylmethylenetriphenylphosphorane
CID 11153426
((1-(Tert-butoxycarbonyl)piperidin-4-yl)methyl)triphenylphosphonium
CID 18187634
Tert-butyl piperidine-1-carboxylate;methyl(triphenyl)phosphanium;iodide
CID 19380951
(2-Oxo-2-piperidin-1-ylethyl)-triphenylphosphanium iodide
CID 20332609
2-[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl-triphenylphosphanium
CID 21180693
2-[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl-triphenylphosphanium
CID 58723477

Frequently Asked Questions

What is the IUPAC name of piperidine-1-carboxylic acid;triphenylphosphane?
The IUPAC name of piperidine-1-carboxylic acid;triphenylphosphane (CID 159814521) is piperidine-1-carboxylic acid;triphenylphosphane.
What is the SMILES notation for piperidine-1-carboxylic acid;triphenylphosphane?
The canonical SMILES for piperidine-1-carboxylic acid;triphenylphosphane is O=C(O)N1CCCCC1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of piperidine-1-carboxylic acid;triphenylphosphane?
The InChIKey is NLLDTTNUGNIJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C6H11NO2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-6(9)7-4-2-1-3-5-7/h1-15H;1-5H2,(H,8,9).
What are the key properties of piperidine-1-carboxylic acid;triphenylphosphane?
piperidine-1-carboxylic acid;triphenylphosphane has a molecular weight of 391.45 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-1-carboxylic acid;triphenylphosphane is sourced from PubChem (CID 159814521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).