4-methyl-1-methylidenephosphanylpiperidine-4-carboxylic acid

C8H14NO2P — CID 143699099

IUPAC4-methyl-1-methylidenephosphanylpiperidine-4-carboxylic acid
SMILESC=PN1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C8H14NO2P/c1-8(7(10)11)3-5-9(12-2)6-4-8/h2-6H2,1H3,(H,10,11)
InChIKeySFZQLKIIGMBMTE-UHFFFAOYSA-N
MW187.18 g/mol
LogP1.47
Rot. Bonds2

About 4-methyl-1-methylidenephosphanylpiperidine-4-carboxylic acid

4-methyl-1-methylidenephosphanylpiperidine-4-carboxylic acid (PubChem CID 143699099) has the molecular formula C8H14NO2P and a molecular weight of 187.18 g/mol. Its IUPAC name is 4-methyl-1-methylidenephosphanylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-methylidenephosphanylpiperidine-4-carboxylic acid
PubChem CID143699099
Molecular FormulaC8H14NO2P
Molecular Weight187.18 g/mol
Exact Mass187.08
IUPAC Name4-methyl-1-methylidenephosphanylpiperidine-4-carboxylic acid
SMILESC=PN1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C8H14NO2P/c1-8(7(10)11)3-5-9(12-2)6-4-8/h2-6H2,1H3,(H,10,11)
InChIKeySFZQLKIIGMBMTE-UHFFFAOYSA-N
XLogP1.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-formyl-4-methylpiperidine-4-carboxylic acid
CID 63123507
4-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxylic acid
CID 63123862
4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 55177179
1-carbamimidoyl-4-methylpiperidine-4-carboxylic acid
CID 123572540
1-but-3-en-2-yl-4-methylpiperidine-4-carboxylic acid
CID 63124469
1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid
CID 63124484
4-methyl-1-propylpiperidine-4-carboxylic acid
CID 23389278
1-(2,2-difluoroacetyl)-4-methylpiperidine-4-carboxylic acid
CID 103513272
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
1-(cyclopropylmethyl)-4-methylpiperidine-4-carboxylic acid
CID 63124521
1-butyl-4-methylpiperidine-4-carboxylic acid
CID 63124911
1-amino-3-methylpiperidine-3-carboxylic acid
CID 151231433

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-methylidenephosphanylpiperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-methylidenephosphanylpiperidine-4-carboxylic acid (CID 143699099) is 4-methyl-1-methylidenephosphanylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-methylidenephosphanylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-methylidenephosphanylpiperidine-4-carboxylic acid is C=PN1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-methylidenephosphanylpiperidine-4-carboxylic acid?
The InChIKey is SFZQLKIIGMBMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO2P/c1-8(7(10)11)3-5-9(12-2)6-4-8/h2-6H2,1H3,(H,10,11).
What are the key properties of 4-methyl-1-methylidenephosphanylpiperidine-4-carboxylic acid?
4-methyl-1-methylidenephosphanylpiperidine-4-carboxylic acid has a molecular weight of 187.18 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-methylidenephosphanylpiperidine-4-carboxylic acid is sourced from PubChem (CID 143699099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).