1-methyl-4-(methylamino)piperidine-4-carboxylic acid

C8H16N2O2 — CID 22981949

IUPAC1-methyl-4-(methylamino)piperidine-4-carboxylic acid
SMILESCNC1(C(=O)O)CCN(C)CC1
InChIInChI=1S/C8H16N2O2/c1-9-8(7(11)12)3-5-10(2)6-4-8/h9H,3-6H2,1-2H3,(H,11,12)
InChIKeyPGBJDKRDIDGMII-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.25
Rot. Bonds2

About 1-methyl-4-(methylamino)piperidine-4-carboxylic acid

1-methyl-4-(methylamino)piperidine-4-carboxylic acid (PubChem CID 22981949) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-methyl-4-(methylamino)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-(methylamino)piperidine-4-carboxylic acid
PubChem CID22981949
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-methyl-4-(methylamino)piperidine-4-carboxylic acid
SMILESCNC1(C(=O)O)CCN(C)CC1
InChIInChI=1S/C8H16N2O2/c1-9-8(7(11)12)3-5-10(2)6-4-8/h9H,3-6H2,1-2H3,(H,11,12)
InChIKeyPGBJDKRDIDGMII-UHFFFAOYSA-N
XLogP-0.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(methylamino)piperidine-4-carboxylic acid?
The IUPAC name of 1-methyl-4-(methylamino)piperidine-4-carboxylic acid (CID 22981949) is 1-methyl-4-(methylamino)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-methyl-4-(methylamino)piperidine-4-carboxylic acid?
The canonical SMILES for 1-methyl-4-(methylamino)piperidine-4-carboxylic acid is CNC1(C(=O)O)CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(methylamino)piperidine-4-carboxylic acid?
The InChIKey is PGBJDKRDIDGMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9-8(7(11)12)3-5-10(2)6-4-8/h9H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 1-methyl-4-(methylamino)piperidine-4-carboxylic acid?
1-methyl-4-(methylamino)piperidine-4-carboxylic acid has a molecular weight of 172.23 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(methylamino)piperidine-4-carboxylic acid is sourced from PubChem (CID 22981949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).