methyl-methylidene-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]phosphanium

C13H26N2O2P+ — CID 90806359

IUPACmethyl-methylidene-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]phosphanium
SMILESC=[P+](C)CN1CCCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H25N2O2P/c1-13(2,3)17-12(16)14-11-7-6-8-15(9-11)10-18(4)5/h11H,4,6-10H2,1-3,5H3/p+1
InChIKeyZLWACOSQESZKPZ-UHFFFAOYSA-O
MW273.34 g/mol
LogP2.48
Rot. Bonds3

About methyl-methylidene-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]phosphanium

methyl-methylidene-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]phosphanium (PubChem CID 90806359) has the molecular formula C13H26N2O2P+ and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl-methylidene-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]phosphanium.

Molecular Properties

Compound Namemethyl-methylidene-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]phosphanium
PubChem CID90806359
Molecular FormulaC13H26N2O2P+
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Namemethyl-methylidene-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]phosphanium
SMILESC=[P+](C)CN1CCCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H25N2O2P/c1-13(2,3)17-12(16)14-11-7-6-8-15(9-11)10-18(4)5/h11H,4,6-10H2,1-3,5H3/p+1
InChIKeyZLWACOSQESZKPZ-UHFFFAOYSA-O
XLogP2.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(3R)-1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]carbamate
CID 171852591
8-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]octanoic acid
CID 175359647
tert-butyl N-[(3R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-3-yl]carbamate
CID 176898296
tert-butyl N-[(3R)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-3-yl]carbamate
CID 99834176
tert-butyl N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamate
CID 97174124
tert-butyl N-[1-[(2-hydroxy-4,5-dimethylphenyl)methyl]piperidin-3-yl]carbamate
CID 91641735
tert-butyl N-[(3R)-1-[(4-bromo-3,5-dimethylphenyl)methyl]piperidin-3-yl]carbamate
CID 170919239
tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate
CID 95912362
tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate
CID 59424157
tert-butyl N-(1-nitrosopiperidin-3-yl)carbamate
CID 122432272
tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate
CID 59535746
tert-butyl N-[(3S)-1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66565985

Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]phosphanium?
The IUPAC name of methyl-methylidene-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]phosphanium (CID 90806359) is methyl-methylidene-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]phosphanium.
What is the SMILES notation for methyl-methylidene-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]phosphanium?
The canonical SMILES for methyl-methylidene-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]phosphanium is C=[P+](C)CN1CCCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of methyl-methylidene-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]phosphanium?
The InChIKey is ZLWACOSQESZKPZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H25N2O2P/c1-13(2,3)17-12(16)14-11-7-6-8-15(9-11)10-18(4)5/h11H,4,6-10H2,1-3,5H3/p+1.
What are the key properties of methyl-methylidene-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]phosphanium?
methyl-methylidene-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]phosphanium has a molecular weight of 273.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]phosphanium is sourced from PubChem (CID 90806359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).