5-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(ethylamino)pentanoic acid

C16H32N2O2 — CID 106805693

IUPAC5-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(ethylamino)pentanoic acid
SMILESCCNC(CC)(CCCN1C(C)CCCC1C)C(=O)O
InChIInChI=1S/C16H32N2O2/c1-5-16(15(19)20,17-6-2)11-8-12-18-13(3)9-7-10-14(18)4/h13-14,17H,5-12H2,1-4H3,(H,19,20)
InChIKeyWHXKBNPQLZJNGK-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.87
Rot. Bonds8

About 5-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(ethylamino)pentanoic acid

5-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(ethylamino)pentanoic acid (PubChem CID 106805693) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 5-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(ethylamino)pentanoic acid.

Molecular Properties

Compound Name5-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(ethylamino)pentanoic acid
PubChem CID106805693
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name5-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(ethylamino)pentanoic acid
SMILESCCNC(CC)(CCCN1C(C)CCCC1C)C(=O)O
InChIInChI=1S/C16H32N2O2/c1-5-16(15(19)20,17-6-2)11-8-12-18-13(3)9-7-10-14(18)4/h13-14,17H,5-12H2,1-4H3,(H,19,20)
InChIKeyWHXKBNPQLZJNGK-UHFFFAOYSA-N
XLogP2.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(ethylamino)pentanoic acid
CID 106805830
2-ethyl-2-(ethylamino)-5-(3-ethylpiperidin-1-yl)pentanoic acid
CID 106805841
2-ethyl-2-(ethylamino)-5-(3-methoxypyrrolidin-1-yl)pentanoic acid
CID 106806557
2-ethyl-2-(ethylamino)-5-[methyl-(3-methylcyclohexyl)amino]pentanoic acid
CID 106805952
6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-2-(propan-2-ylamino)hexanoic acid
CID 104968568
2-(cyclopropylamino)-6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylhexanoic acid
CID 104968645
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid
CID 28972400
5-(2,3-dimethylpiperidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid
CID 106806133
2-amino-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpentanamide
CID 104968697
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106809903
2-ethyl-2-(ethylamino)-5-(3-methoxy-3-methylpiperidin-1-yl)pentanoic acid
CID 107394741
2-ethyl-2-(ethylamino)-5-propylsulfanylpentanoic acid
CID 106807288

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(ethylamino)pentanoic acid?
The IUPAC name of 5-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(ethylamino)pentanoic acid (CID 106805693) is 5-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(ethylamino)pentanoic acid.
What is the SMILES notation for 5-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(ethylamino)pentanoic acid?
The canonical SMILES for 5-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(ethylamino)pentanoic acid is CCNC(CC)(CCCN1C(C)CCCC1C)C(=O)O.
What is the InChIKey of 5-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(ethylamino)pentanoic acid?
The InChIKey is WHXKBNPQLZJNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-16(15(19)20,17-6-2)11-8-12-18-13(3)9-7-10-14(18)4/h13-14,17H,5-12H2,1-4H3,(H,19,20).
What are the key properties of 5-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(ethylamino)pentanoic acid?
5-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(ethylamino)pentanoic acid has a molecular weight of 284.44 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(ethylamino)pentanoic acid is sourced from PubChem (CID 106805693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).