1-formyl-4-methylpiperidine-4-carboxylic acid

C8H13NO3 — CID 63123507

IUPAC1-formyl-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C=O)CC1
InChIInChI=1S/C8H13NO3/c1-8(7(11)12)2-4-9(6-10)5-3-8/h6H,2-5H2,1H3,(H,11,12)
InChIKeySSPSXNUEJFWVNL-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.33
Rot. Bonds2

About 1-formyl-4-methylpiperidine-4-carboxylic acid

1-formyl-4-methylpiperidine-4-carboxylic acid (PubChem CID 63123507) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-formyl-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-formyl-4-methylpiperidine-4-carboxylic acid
PubChem CID63123507
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name1-formyl-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C=O)CC1
InChIInChI=1S/C8H13NO3/c1-8(7(11)12)2-4-9(6-10)5-3-8/h6H,2-5H2,1H3,(H,11,12)
InChIKeySSPSXNUEJFWVNL-UHFFFAOYSA-N
XLogP0.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 55177179
4-methyl-1-methylidenephosphanylpiperidine-4-carboxylic acid
CID 143699099
1-but-3-en-2-yl-4-methylpiperidine-4-carboxylic acid
CID 63124469
1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid
CID 63124484
(2S)-1-formyl-2-methylpyrrolidine-2-carboxylic acid
CID 141351286
4-methyl-1-propylpiperidine-4-carboxylic acid
CID 23389278
4-tert-butyl-4-methylpiperidine-1-carbaldehyde
CID 156749838
3-hydroxy-3-methylpyrrolidine-1-carbaldehyde
CID 103357524
4-ethyl-4-methylpiperidine-1-carbaldehyde
CID 64992637
4-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxylic acid
CID 63123862
1-(2,2-difluoroacetyl)-4-methylpiperidine-4-carboxylic acid
CID 103513272
1-[2-(cyclopropylmethylamino)acetyl]-4-methylpiperidine-4-carboxylic acid
CID 63123918

Frequently Asked Questions

What is the IUPAC name of 1-formyl-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-formyl-4-methylpiperidine-4-carboxylic acid (CID 63123507) is 1-formyl-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-formyl-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-formyl-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C=O)CC1.
What is the InChIKey of 1-formyl-4-methylpiperidine-4-carboxylic acid?
The InChIKey is SSPSXNUEJFWVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-8(7(11)12)2-4-9(6-10)5-3-8/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 1-formyl-4-methylpiperidine-4-carboxylic acid?
1-formyl-4-methylpiperidine-4-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formyl-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63123507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).