1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperidine-4-carboximidamide

C14H29N3O3 — CID 107161954

IUPAC1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(CCOCCOCCOC)CC1
InChIInChI=1S/C14H29N3O3/c1-14(13(15)16)3-5-17(6-4-14)7-8-19-11-12-20-10-9-18-2/h3-12H2,1-2H3,(H3,15,16)
InChIKeyJCPYNYFBJBAXCV-UHFFFAOYSA-N
MW287.40 g/mol
LogP0.70
Rot. Bonds10

About 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperidine-4-carboximidamide

1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperidine-4-carboximidamide (PubChem CID 107161954) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperidine-4-carboximidamide
PubChem CID107161954
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(CCOCCOCCOC)CC1
InChIInChI=1S/C14H29N3O3/c1-14(13(15)16)3-5-17(6-4-14)7-8-19-11-12-20-10-9-18-2/h3-12H2,1-2H3,(H3,15,16)
InChIKeyJCPYNYFBJBAXCV-UHFFFAOYSA-N
XLogP0.70
TPSA80.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-heptyl-4-methylpiperidine-4-carboximidamide
CID 107161963
4-methyl-1-nonylpiperidine-4-carboximidamide
CID 107162012
1-decyl-4-methylpiperidine-4-carboximidamide
CID 107162178
4-methyl-1-(3-methylbutyl)piperidine-4-carboximidamide
CID 107162056
[1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidin-4-yl]methanamine
CID 107160604
1-(2-cyclopentylethyl)-4-methylpiperidine-4-carboximidamide
CID 114191294
1-(3-methoxypropyl)-4-methylpiperidine-4-carbothioamide
CID 107161474
1-(2-tert-butylsulfonylethyl)-4-methylpiperidine-4-carboximidamide
CID 107162078
4-methyl-1-(2-propan-2-ylsulfonylethyl)piperidine-4-carboximidamide
CID 107162003
1-(4-methoxybutyl)-4-methylpiperidine-4-carboxylic acid
CID 104648450
8-[2-(2-methoxyethoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 79885602
4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]morpholine
CID 135134424

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperidine-4-carboximidamide (CID 107161954) is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperidine-4-carboximidamide is [H]/N=C(\N)C1(C)CCN(CCOCCOCCOC)CC1.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperidine-4-carboximidamide?
The InChIKey is JCPYNYFBJBAXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-14(13(15)16)3-5-17(6-4-14)7-8-19-11-12-20-10-9-18-2/h3-12H2,1-2H3,(H3,15,16).
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperidine-4-carboximidamide?
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperidine-4-carboximidamide has a molecular weight of 287.40 g/mol, XLogP of 0.70, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107161954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).