1-(2-ethylhexyl)-4-methylpiperidine-2-carboxylic acid

C15H29NO2 — CID 114426636

IUPAC1-(2-ethylhexyl)-4-methylpiperidine-2-carboxylic acid
SMILESCCCCC(CC)CN1CCC(C)CC1C(=O)O
InChIInChI=1S/C15H29NO2/c1-4-6-7-13(5-2)11-16-9-8-12(3)10-14(16)15(17)18/h12-14H,4-11H2,1-3H3,(H,17,18)
InChIKeyHCQANOKKICYHDH-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.39
Rot. Bonds7

About 1-(2-ethylhexyl)-4-methylpiperidine-2-carboxylic acid

1-(2-ethylhexyl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 114426636) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethylhexyl)-4-methylpiperidine-2-carboxylic acid
PubChem CID114426636
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-(2-ethylhexyl)-4-methylpiperidine-2-carboxylic acid
SMILESCCCCC(CC)CN1CCC(C)CC1C(=O)O
InChIInChI=1S/C15H29NO2/c1-4-6-7-13(5-2)11-16-9-8-12(3)10-14(16)15(17)18/h12-14H,4-11H2,1-3H3,(H,17,18)
InChIKeyHCQANOKKICYHDH-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylbutyl)-4-methylpiperidine-2-carboxylic acid
CID 114426624
4-methyl-1-propylpiperidine-2-carboxylic acid
CID 114426252
4-methyl-1-(2-propoxyethyl)piperidine-2-carboxylic acid
CID 106454824
1-(2-fluoroethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426285
1-(2-amino-2-oxoethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426657
1-(cyanomethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426250
2-(2-ethylhexylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974196
1-hexanoyl-4-methylpiperidine-2-carboxylic acid
CID 114421742
2-(2-ethylhexyl)cyclopentane-1-carboxylic acid
CID 81008544
1-but-3-ynyl-4-methylpiperidine-2-carboxylic acid
CID 114426543
1-(2-methylpropyl)azetidine-2-carboxylic acid
CID 22132132
1-(2-hydroxy-3-methylpentyl)azetidine-2-carboxylic acid
CID 69349562

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-ethylhexyl)-4-methylpiperidine-2-carboxylic acid (CID 114426636) is 1-(2-ethylhexyl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-ethylhexyl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-ethylhexyl)-4-methylpiperidine-2-carboxylic acid is CCCCC(CC)CN1CCC(C)CC1C(=O)O.
What is the InChIKey of 1-(2-ethylhexyl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is HCQANOKKICYHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-6-7-13(5-2)11-16-9-8-12(3)10-14(16)15(17)18/h12-14H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 1-(2-ethylhexyl)-4-methylpiperidine-2-carboxylic acid?
1-(2-ethylhexyl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 255.40 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114426636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).