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

C13H25NO2 — CID 106745070

IUPAC2-methyl-1-(4-methylpentyl)piperidine-4-carboxylic acid
SMILESCC(C)CCCN1CCC(C(=O)O)CC1C
InChIInChI=1S/C13H25NO2/c1-10(2)5-4-7-14-8-6-12(13(15)16)9-11(14)3/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyCHRGQZPXAATJIA-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.61
Rot. Bonds5

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

2-methyl-1-(4-methylpentyl)piperidine-4-carboxylic acid (PubChem CID 106745070) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-methyl-1-(4-methylpentyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(4-methylpentyl)piperidine-4-carboxylic acid
PubChem CID106745070
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-methyl-1-(4-methylpentyl)piperidine-4-carboxylic acid
SMILESCC(C)CCCN1CCC(C(=O)O)CC1C
InChIInChI=1S/C13H25NO2/c1-10(2)5-4-7-14-8-6-12(13(15)16)9-11(14)3/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyCHRGQZPXAATJIA-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-octylpiperidine-4-carboxylic acid
CID 106744771
1-heptyl-2-methylpiperidine-4-carboxylic acid
CID 106744769
2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid
CID 106745002
2-methyl-1-[4-(methylamino)-4-oxobutyl]piperidine-4-carboxylic acid
CID 106745125
2-methyl-1-(4-methylsulfanylbutyl)piperidine-4-carboxylic acid
CID 106745352
2-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine-4-carboxylic acid
CID 106744761
2-methyl-1-(6-methylheptan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 106744109
1-(2-ethoxyethyl)-2-methylpiperidine-4-carboxylic acid
CID 106744774
2-methyl-1-(5-methylhexyl)piperidine
CID 142939607
2-methyl-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 106745088
5-(2,4-dimethylpiperidin-1-yl)pentan-2-ol
CID 62330381
1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-4-carboxylic acid
CID 106744699

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylpentyl)piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-(4-methylpentyl)piperidine-4-carboxylic acid (CID 106745070) is 2-methyl-1-(4-methylpentyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(4-methylpentyl)piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-(4-methylpentyl)piperidine-4-carboxylic acid is CC(C)CCCN1CCC(C(=O)O)CC1C.
What is the InChIKey of 2-methyl-1-(4-methylpentyl)piperidine-4-carboxylic acid?
The InChIKey is CHRGQZPXAATJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)5-4-7-14-8-6-12(13(15)16)9-11(14)3/h10-12H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-1-(4-methylpentyl)piperidine-4-carboxylic acid?
2-methyl-1-(4-methylpentyl)piperidine-4-carboxylic acid has a molecular weight of 227.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylpentyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 106745070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).