benzyl 2-dimethoxyphosphorylpiperidine-1-carboxylate

C15H22NO5P — CID 10734957

IUPACbenzyl 2-dimethoxyphosphorylpiperidine-1-carboxylate
SMILESCOP(=O)(OC)C1CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H22NO5P/c1-19-22(18,20-2)14-10-6-7-11-16(14)15(17)21-12-13-8-4-3-5-9-13/h3-5,8-9,14H,6-7,10-12H2,1-2H3
InChIKeyPQLWNDIPPBEQLL-UHFFFAOYSA-N
MW327.32 g/mol
LogP3.62
Rot. Bonds5

About benzyl 2-dimethoxyphosphorylpiperidine-1-carboxylate

benzyl 2-dimethoxyphosphorylpiperidine-1-carboxylate (PubChem CID 10734957) has the molecular formula C15H22NO5P and a molecular weight of 327.32 g/mol. Its IUPAC name is benzyl 2-dimethoxyphosphorylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-dimethoxyphosphorylpiperidine-1-carboxylate
PubChem CID10734957
Molecular FormulaC15H22NO5P
Molecular Weight327.32 g/mol
Exact Mass327.12
IUPAC Namebenzyl 2-dimethoxyphosphorylpiperidine-1-carboxylate
SMILESCOP(=O)(OC)C1CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H22NO5P/c1-19-22(18,20-2)14-10-6-7-11-16(14)15(17)21-12-13-8-4-3-5-9-13/h3-5,8-9,14H,6-7,10-12H2,1-2H3
InChIKeyPQLWNDIPPBEQLL-UHFFFAOYSA-N
XLogP3.62
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl (2S)-2-(dimethoxyphosphorylmethyl)pyrrolidine-1-carboxylate
CID 10592285
benzyl (2S)-2-dimethoxyphosphorylcarbonylpyrrolidine-1-carboxylate
CID 165341202
benzyl (2R)-2-acetylpiperidine-1-carboxylate
CID 89477385
benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate
CID 23212404
benzyl (2S)-2-ethynylpyrrolidine-1-carboxylate
CID 101484973
benzyl (2S)-2-cyanopiperidine-1-carboxylate
CID 27281979
[(2S)-3-ethoxy-2-methyl-3-oxopropyl]-[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]phosphinic acid
CID 24828307
benzyl 2-(oxiran-2-yl)pyrrolidine-1-carboxylate
CID 21051103
benzyl 2-(sulfanylmethyl)piperidine-1-carboxylate
CID 171314813
benzyl (2R)-2-(methoxymethoxymethyl)piperidine-1-carboxylate
CID 129394028
benzyl (2S,3R)-3-amino-2-methylpiperidine-1-carboxylate
CID 67432326
benzyl 2,4-dimethylazepane-1-carboxylate
CID 118248110

Frequently Asked Questions

What is the IUPAC name of benzyl 2-dimethoxyphosphorylpiperidine-1-carboxylate?
The IUPAC name of benzyl 2-dimethoxyphosphorylpiperidine-1-carboxylate (CID 10734957) is benzyl 2-dimethoxyphosphorylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl 2-dimethoxyphosphorylpiperidine-1-carboxylate?
The canonical SMILES for benzyl 2-dimethoxyphosphorylpiperidine-1-carboxylate is COP(=O)(OC)C1CCCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-dimethoxyphosphorylpiperidine-1-carboxylate?
The InChIKey is PQLWNDIPPBEQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22NO5P/c1-19-22(18,20-2)14-10-6-7-11-16(14)15(17)21-12-13-8-4-3-5-9-13/h3-5,8-9,14H,6-7,10-12H2,1-2H3.
What are the key properties of benzyl 2-dimethoxyphosphorylpiperidine-1-carboxylate?
benzyl 2-dimethoxyphosphorylpiperidine-1-carboxylate has a molecular weight of 327.32 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-dimethoxyphosphorylpiperidine-1-carboxylate is sourced from PubChem (CID 10734957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).