5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid

C12H23NO2 — CID 28972400

IUPAC5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid
SMILESC[C@@H]1CCC[C@H](C)N1CCCCC(=O)O
InChIInChI=1S/C12H23NO2/c1-10-6-5-7-11(2)13(10)9-4-3-8-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)/t10-,11+
InChIKeyCNPOZTJTZKWFLL-PHIMTYICSA-N
MW213.32 g/mol
LogP2.50
Rot. Bonds5

About 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid

5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid (PubChem CID 28972400) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid.

Molecular Properties

Compound Name5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid
PubChem CID28972400
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid
SMILESC[C@@H]1CCC[C@H](C)N1CCCCC(=O)O
InChIInChI=1S/C12H23NO2/c1-10-6-5-7-11(2)13(10)9-4-3-8-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)/t10-,11+
InChIKeyCNPOZTJTZKWFLL-PHIMTYICSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,6-dimethylpiperidin-1-yl)butan-1-ol
CID 19867661
6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid
CID 174674444
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide
CID 92917685
2-(2,6-dimethyl(213C)azinan-1-yl)acetic acid
CID 91351477
2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]acetic acid
CID 6994012
1-hexyl-2,6-dimethylpiperidine
CID 6428887
methyl 3-(2,6-dimethylpiperidin-1-yl)propanoate
CID 14810577
4-[(2,6-dimethylpiperidine-1-carbonyl)-methylamino]butanoic acid
CID 43329817
3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-amine
CID 7176132
6-[(2-methylpiperidine-1-carbonyl)amino]-6-oxohexanoic acid
CID 43447279
2-amino-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpentanamide
CID 104968697
2-amino-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid
CID 104968699

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid?
The IUPAC name of 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid (CID 28972400) is 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid.
What is the SMILES notation for 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid?
The canonical SMILES for 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid is C[C@@H]1CCC[C@H](C)N1CCCCC(=O)O.
What is the InChIKey of 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid?
The InChIKey is CNPOZTJTZKWFLL-PHIMTYICSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10-6-5-7-11(2)13(10)9-4-3-8-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)/t10-,11+.
What are the key properties of 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid?
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid is sourced from PubChem (CID 28972400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).