5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(ethylamino)pentanoic acid

C16H33N3O2 — CID 106805830

IUPAC5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(ethylamino)pentanoic acid
SMILESCCNC(CC)(CCCN1CCC(N(C)C)CC1)C(=O)O
InChIInChI=1S/C16H33N3O2/c1-5-16(15(20)21,17-6-2)10-7-11-19-12-8-14(9-13-19)18(3)4/h14,17H,5-13H2,1-4H3,(H,20,21)
InChIKeyZUIZGAOEKRDFOC-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.64
Rot. Bonds9

About 5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(ethylamino)pentanoic acid

5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(ethylamino)pentanoic acid (PubChem CID 106805830) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(ethylamino)pentanoic acid.

Molecular Properties

Compound Name5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(ethylamino)pentanoic acid
PubChem CID106805830
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(ethylamino)pentanoic acid
SMILESCCNC(CC)(CCCN1CCC(N(C)C)CC1)C(=O)O
InChIInChI=1S/C16H33N3O2/c1-5-16(15(20)21,17-6-2)10-7-11-19-12-8-14(9-13-19)18(3)4/h14,17H,5-13H2,1-4H3,(H,20,21)
InChIKeyZUIZGAOEKRDFOC-UHFFFAOYSA-N
XLogP1.64
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(methylamino)pentanoic acid
CID 106805828
2-ethyl-2-(ethylamino)-5-(3-methoxypyrrolidin-1-yl)pentanoic acid
CID 106806557
2-ethyl-2-(ethylamino)-5-(3-ethylpiperidin-1-yl)pentanoic acid
CID 106805841
5-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)-2-methylpentan-1-ol
CID 64796428
2-ethyl-2-(methylamino)-5-(4-propan-2-ylpiperidin-1-yl)pentanoic acid
CID 106806550
5-(2,6-dimethylpiperidin-1-yl)-2-ethyl-2-(ethylamino)pentanoic acid
CID 106805693
6-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylhexanoic acid
CID 63165554
4-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylbutanoic acid
CID 65248161
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutanoic acid
CID 63165425
2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)propanoic acid
CID 63910516
5-(3-tert-butylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106806468
2-ethyl-2-(ethylamino)-5-(3-methoxy-3-methylpiperidin-1-yl)pentanoic acid
CID 107394741

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(ethylamino)pentanoic acid?
The IUPAC name of 5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(ethylamino)pentanoic acid (CID 106805830) is 5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(ethylamino)pentanoic acid.
What is the SMILES notation for 5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(ethylamino)pentanoic acid?
The canonical SMILES for 5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(ethylamino)pentanoic acid is CCNC(CC)(CCCN1CCC(N(C)C)CC1)C(=O)O.
What is the InChIKey of 5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(ethylamino)pentanoic acid?
The InChIKey is ZUIZGAOEKRDFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-5-16(15(20)21,17-6-2)10-7-11-19-12-8-14(9-13-19)18(3)4/h14,17H,5-13H2,1-4H3,(H,20,21).
What are the key properties of 5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(ethylamino)pentanoic acid?
5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(ethylamino)pentanoic acid has a molecular weight of 299.46 g/mol, XLogP of 1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(ethylamino)pentanoic acid is sourced from PubChem (CID 106805830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).