1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine;hydrobromide

C10H23BrN4O — CID 75361620

IUPAC1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine;hydrobromide
SMILESBr.C/N=C(\N)NC1CCN(CCOC)CC1
InChIInChI=1S/C10H22N4O.BrH/c1-12-10(11)13-9-3-5-14(6-4-9)7-8-15-2;/h9H,3-8H2,1-2H3,(H3,11,12,13);1H
InChIKeyLCKHIGOUFDMACJ-UHFFFAOYSA-N
MW295.22 g/mol
LogP0.21
Rot. Bonds4

About 1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine;hydrobromide

1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine;hydrobromide (PubChem CID 75361620) has the molecular formula C10H23BrN4O and a molecular weight of 295.22 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine;hydrobromide.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine;hydrobromide
PubChem CID75361620
Molecular FormulaC10H23BrN4O
Molecular Weight295.22 g/mol
Exact Mass294.11
IUPAC Name1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine;hydrobromide
SMILESBr.C/N=C(\N)NC1CCN(CCOC)CC1
InChIInChI=1S/C10H22N4O.BrH/c1-12-10(11)13-9-3-5-14(6-4-9)7-8-15-2;/h9H,3-8H2,1-2H3,(H3,11,12,13);1H
InChIKeyLCKHIGOUFDMACJ-UHFFFAOYSA-N
XLogP0.21
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine;hydrobromide?
The IUPAC name of 1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine;hydrobromide (CID 75361620) is 1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine;hydrobromide.
What is the SMILES notation for 1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine;hydrobromide?
The canonical SMILES for 1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine;hydrobromide is Br.C/N=C(\N)NC1CCN(CCOC)CC1.
What is the InChIKey of 1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine;hydrobromide?
The InChIKey is LCKHIGOUFDMACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O.BrH/c1-12-10(11)13-9-3-5-14(6-4-9)7-8-15-2;/h9H,3-8H2,1-2H3,(H3,11,12,13);1H.
What are the key properties of 1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine;hydrobromide?
1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine;hydrobromide has a molecular weight of 295.22 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylguanidine;hydrobromide is sourced from PubChem (CID 75361620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).