2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid

C11H21NO2 — CID 106745002

IUPAC2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid
SMILESCC(C)CN1CCC(C(=O)O)CC1C
InChIInChI=1S/C11H21NO2/c1-8(2)7-12-5-4-10(11(13)14)6-9(12)3/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyQEGHEOKAKQEJCC-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.83
Rot. Bonds3

About 2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid

2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid (PubChem CID 106745002) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid
PubChem CID106745002
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid
SMILESCC(C)CN1CCC(C(=O)O)CC1C
InChIInChI=1S/C11H21NO2/c1-8(2)7-12-5-4-10(11(13)14)6-9(12)3/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyQEGHEOKAKQEJCC-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(4-methylpentyl)piperidine-4-carboxylic acid
CID 106745070
2-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine-4-carboxylic acid
CID 106744761
2-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 79370819
1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-4-carboxylic acid
CID 106744699
1-(2-methylpropyl)azetidine-2-carboxylic acid
CID 22132132
(2S)-4-fluoro-2-methyl-1-(2-methylpropyl)piperidine
CID 171752860
1-heptyl-2-methylpiperidine-4-carboxylic acid
CID 106744769
2-methyl-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 106745088
2-methyl-1-octylpiperidine-4-carboxylic acid
CID 106744771
1-(2-ethoxyethyl)-2-methylpiperidine-4-carboxylic acid
CID 106744774
2-methyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxylic acid
CID 106742454
2-methyl-1-(4-methylsulfanylbutyl)piperidine-4-carboxylic acid
CID 106745352

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid (CID 106745002) is 2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid is CC(C)CN1CCC(C(=O)O)CC1C.
What is the InChIKey of 2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid?
The InChIKey is QEGHEOKAKQEJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)7-12-5-4-10(11(13)14)6-9(12)3/h8-10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid?
2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 106745002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).