2-amino-1-(2,6-dimethylpiperidin-1-yl)-5-methoxypentan-1-one

C13H26N2O2 — CID 81081732

IUPAC2-amino-1-(2,6-dimethylpiperidin-1-yl)-5-methoxypentan-1-one
SMILESCOCCCC(N)C(=O)N1C(C)CCCC1C
InChIInChI=1S/C13H26N2O2/c1-10-6-4-7-11(2)15(10)13(16)12(14)8-5-9-17-3/h10-12H,4-9,14H2,1-3H3
InChIKeyYGWNAOPXCGZQKI-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.53
Rot. Bonds5

About 2-amino-1-(2,6-dimethylpiperidin-1-yl)-5-methoxypentan-1-one

2-amino-1-(2,6-dimethylpiperidin-1-yl)-5-methoxypentan-1-one (PubChem CID 81081732) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-amino-1-(2,6-dimethylpiperidin-1-yl)-5-methoxypentan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,6-dimethylpiperidin-1-yl)-5-methoxypentan-1-one
PubChem CID81081732
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-amino-1-(2,6-dimethylpiperidin-1-yl)-5-methoxypentan-1-one
SMILESCOCCCC(N)C(=O)N1C(C)CCCC1C
InChIInChI=1S/C13H26N2O2/c1-10-6-4-7-11(2)15(10)13(16)12(14)8-5-9-17-3/h10-12H,4-9,14H2,1-3H3
InChIKeyYGWNAOPXCGZQKI-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentan-1-one
CID 103796395
2-amino-1-(5-ethyl-2-methylpiperidin-1-yl)-5-methoxypentan-1-one
CID 112734411
2-methoxyethyl 2,6-dimethylpiperidine-1-carboxylate
CID 142740059
2-amino-5-methoxy-1-(4-methylazepan-1-yl)pentan-1-one
CID 81089424
2-amino-4-methoxy-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 62472696
2-[8-(2-amino-5-methoxypentanoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 81092830
2-amino-5-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)pentan-1-one
CID 114220995
1-(2-amino-5-methoxypentanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107068899
2-cyclopropylethyl 2-amino-5-methoxypentanoate
CID 106202545
1-(2-amino-5-methoxypentanoyl)piperidine-3-carboxamide
CID 81081411
2-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methoxypentan-1-one
CID 114797556
2-amino-5-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one
CID 81089522

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,6-dimethylpiperidin-1-yl)-5-methoxypentan-1-one?
The IUPAC name of 2-amino-1-(2,6-dimethylpiperidin-1-yl)-5-methoxypentan-1-one (CID 81081732) is 2-amino-1-(2,6-dimethylpiperidin-1-yl)-5-methoxypentan-1-one.
What is the SMILES notation for 2-amino-1-(2,6-dimethylpiperidin-1-yl)-5-methoxypentan-1-one?
The canonical SMILES for 2-amino-1-(2,6-dimethylpiperidin-1-yl)-5-methoxypentan-1-one is COCCCC(N)C(=O)N1C(C)CCCC1C.
What is the InChIKey of 2-amino-1-(2,6-dimethylpiperidin-1-yl)-5-methoxypentan-1-one?
The InChIKey is YGWNAOPXCGZQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10-6-4-7-11(2)15(10)13(16)12(14)8-5-9-17-3/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 2-amino-1-(2,6-dimethylpiperidin-1-yl)-5-methoxypentan-1-one?
2-amino-1-(2,6-dimethylpiperidin-1-yl)-5-methoxypentan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,6-dimethylpiperidin-1-yl)-5-methoxypentan-1-one is sourced from PubChem (CID 81081732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).