1,2-dimethyl-1-[3-(1-methylpiperidin-4-yl)propyl]guanidine

C12H26N4 — CID 59140966

IUPAC1,2-dimethyl-1-[3-(1-methylpiperidin-4-yl)propyl]guanidine
SMILESC/N=C(\N)N(C)CCCC1CCN(C)CC1
InChIInChI=1S/C12H26N4/c1-14-12(13)16(3)8-4-5-11-6-9-15(2)10-7-11/h11H,4-10H2,1-3H3,(H2,13,14)
InChIKeyCXXFZXZBNWSLKD-UHFFFAOYSA-N
MW226.37 g/mol
LogP0.98
Rot. Bonds4

About 1,2-dimethyl-1-[3-(1-methylpiperidin-4-yl)propyl]guanidine

1,2-dimethyl-1-[3-(1-methylpiperidin-4-yl)propyl]guanidine (PubChem CID 59140966) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 1,2-dimethyl-1-[3-(1-methylpiperidin-4-yl)propyl]guanidine.

Molecular Properties

Compound Name1,2-dimethyl-1-[3-(1-methylpiperidin-4-yl)propyl]guanidine
PubChem CID59140966
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name1,2-dimethyl-1-[3-(1-methylpiperidin-4-yl)propyl]guanidine
SMILESC/N=C(\N)N(C)CCCC1CCN(C)CC1
InChIInChI=1S/C12H26N4/c1-14-12(13)16(3)8-4-5-11-6-9-15(2)10-7-11/h11H,4-10H2,1-3H3,(H2,13,14)
InChIKeyCXXFZXZBNWSLKD-UHFFFAOYSA-N
XLogP0.98
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1,2-dimethyl-1-[3-(1-methylpiperidin-4-yl)propyl]guanidine?
The IUPAC name of 1,2-dimethyl-1-[3-(1-methylpiperidin-4-yl)propyl]guanidine (CID 59140966) is 1,2-dimethyl-1-[3-(1-methylpiperidin-4-yl)propyl]guanidine.
What is the SMILES notation for 1,2-dimethyl-1-[3-(1-methylpiperidin-4-yl)propyl]guanidine?
The canonical SMILES for 1,2-dimethyl-1-[3-(1-methylpiperidin-4-yl)propyl]guanidine is C/N=C(\N)N(C)CCCC1CCN(C)CC1.
What is the InChIKey of 1,2-dimethyl-1-[3-(1-methylpiperidin-4-yl)propyl]guanidine?
The InChIKey is CXXFZXZBNWSLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-14-12(13)16(3)8-4-5-11-6-9-15(2)10-7-11/h11H,4-10H2,1-3H3,(H2,13,14).
What are the key properties of 1,2-dimethyl-1-[3-(1-methylpiperidin-4-yl)propyl]guanidine?
1,2-dimethyl-1-[3-(1-methylpiperidin-4-yl)propyl]guanidine has a molecular weight of 226.37 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-[3-(1-methylpiperidin-4-yl)propyl]guanidine is sourced from PubChem (CID 59140966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).