(4R)-2,2-dimethyl-4-(methylamino)piperidine-1-carboxylic acid

C9H18N2O2 — CID 175521902

IUPAC(4R)-2,2-dimethyl-4-(methylamino)piperidine-1-carboxylic acid
SMILESCN[C@@H]1CCN(C(=O)O)C(C)(C)C1
InChIInChI=1S/C9H18N2O2/c1-9(2)6-7(10-3)4-5-11(9)8(12)13/h7,10H,4-6H2,1-3H3,(H,12,13)/t7-/m1/s1
InChIKeyXAVKMECKKORDSZ-SSDOTTSWSA-N
MW186.25 g/mol
LogP1.13
Rot. Bonds1

About (4R)-2,2-dimethyl-4-(methylamino)piperidine-1-carboxylic acid

(4R)-2,2-dimethyl-4-(methylamino)piperidine-1-carboxylic acid (PubChem CID 175521902) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (4R)-2,2-dimethyl-4-(methylamino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(4R)-2,2-dimethyl-4-(methylamino)piperidine-1-carboxylic acid
PubChem CID175521902
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(4R)-2,2-dimethyl-4-(methylamino)piperidine-1-carboxylic acid
SMILESCN[C@@H]1CCN(C(=O)O)C(C)(C)C1
InChIInChI=1S/C9H18N2O2/c1-9(2)6-7(10-3)4-5-11(9)8(12)13/h7,10H,4-6H2,1-3H3,(H,12,13)/t7-/m1/s1
InChIKeyXAVKMECKKORDSZ-SSDOTTSWSA-N
XLogP1.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-hydroxy-N,2,2,6,6-pentamethylpiperidin-4-amine
CID 11853021
1-benzyl-N,2,2-trimethylpiperidin-4-amine
CID 117020178
(4S)-4-(3-hydroxypropyl)-2,2-dimethylpyrrolidine-1-carboxylic acid
CID 139389191
1-(3-chlorophenyl)-N,2,2-trimethylpiperidin-4-amine
CID 117020209
[4-(methylamino)piperidin-1-yl]-(1-methylcyclobutyl)methanone
CID 119561901
(2-ethyl-2-methylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561939
4-amino-N-cyclohexyl-2,2-dimethylpyrrolidine-1-carboxamide
CID 115269134
2-cyclohexyl-1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)ethanone
CID 115276010
cyclopentyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60820118
4-(methylamino)piperidine-1-sulfinic acid
CID 66960084
4-(methylamino)piperidine-1-carboxamide
CID 43754889
4-amino-N-cyclopropyl-2,2-dimethylpyrrolidine-1-carboxamide
CID 115269144

Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-dimethyl-4-(methylamino)piperidine-1-carboxylic acid?
The IUPAC name of (4R)-2,2-dimethyl-4-(methylamino)piperidine-1-carboxylic acid (CID 175521902) is (4R)-2,2-dimethyl-4-(methylamino)piperidine-1-carboxylic acid.
What is the SMILES notation for (4R)-2,2-dimethyl-4-(methylamino)piperidine-1-carboxylic acid?
The canonical SMILES for (4R)-2,2-dimethyl-4-(methylamino)piperidine-1-carboxylic acid is CN[C@@H]1CCN(C(=O)O)C(C)(C)C1.
What is the InChIKey of (4R)-2,2-dimethyl-4-(methylamino)piperidine-1-carboxylic acid?
The InChIKey is XAVKMECKKORDSZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2)6-7(10-3)4-5-11(9)8(12)13/h7,10H,4-6H2,1-3H3,(H,12,13)/t7-/m1/s1.
What are the key properties of (4R)-2,2-dimethyl-4-(methylamino)piperidine-1-carboxylic acid?
(4R)-2,2-dimethyl-4-(methylamino)piperidine-1-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-dimethyl-4-(methylamino)piperidine-1-carboxylic acid is sourced from PubChem (CID 175521902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).