4-[2-methyl-3-(methylamino)propyl]piperidine-1-carboxylic acid

C11H22N2O2 — CID 154017812

IUPAC4-[2-methyl-3-(methylamino)propyl]piperidine-1-carboxylic acid
SMILESCNCC(C)CC1CCN(C(=O)O)CC1
InChIInChI=1S/C11H22N2O2/c1-9(8-12-2)7-10-3-5-13(6-4-10)11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyWBZCJWLOYJJPRR-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.62
Rot. Bonds4

About 4-[2-methyl-3-(methylamino)propyl]piperidine-1-carboxylic acid

4-[2-methyl-3-(methylamino)propyl]piperidine-1-carboxylic acid (PubChem CID 154017812) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-[2-methyl-3-(methylamino)propyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-methyl-3-(methylamino)propyl]piperidine-1-carboxylic acid
PubChem CID154017812
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-[2-methyl-3-(methylamino)propyl]piperidine-1-carboxylic acid
SMILESCNCC(C)CC1CCN(C(=O)O)CC1
InChIInChI=1S/C11H22N2O2/c1-9(8-12-2)7-10-3-5-13(6-4-10)11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyWBZCJWLOYJJPRR-UHFFFAOYSA-N
XLogP1.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride
CID 137373042
4-[3-(methylamino)propyl]piperidine-1-carboxylic acid
CID 154017805
4-(2,3-dihydroxypropyl)piperidine-1-carboxylic acid
CID 68759598
4-[(2S)-2-amino-2-cyclopropylethyl]piperidine-1-carboxylic acid
CID 137373252
4-[(2S)-2,3-dihydroxypropyl]piperidine-1-carboxylic acid
CID 156506776
4-[2-(ethylamino)-1-hydroxyethyl]piperidine-1-carboxylic acid
CID 129053752
4-(propan-2-ylsulfanylmethyl)piperidine-1-carboxylic acid
CID 66803087
4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid
CID 22047936
2-methyl-3-(methylamino)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119781918
4-(1-bromoethyl)piperidine-1-carboxylic acid
CID 22936412
4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid
CID 137372946
2-cyclopropyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 81478302

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-(methylamino)propyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-methyl-3-(methylamino)propyl]piperidine-1-carboxylic acid (CID 154017812) is 4-[2-methyl-3-(methylamino)propyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-methyl-3-(methylamino)propyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-methyl-3-(methylamino)propyl]piperidine-1-carboxylic acid is CNCC(C)CC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[2-methyl-3-(methylamino)propyl]piperidine-1-carboxylic acid?
The InChIKey is WBZCJWLOYJJPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(8-12-2)7-10-3-5-13(6-4-10)11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 4-[2-methyl-3-(methylamino)propyl]piperidine-1-carboxylic acid?
4-[2-methyl-3-(methylamino)propyl]piperidine-1-carboxylic acid has a molecular weight of 214.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-(methylamino)propyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 154017812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).