1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-propylguanidine

C14H30N4 — CID 111057510

IUPAC1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCCN1CC(C)CC(C)C1
InChIInChI=1S/C14H30N4/c1-4-6-16-14(15)17-7-5-8-18-10-12(2)9-13(3)11-18/h12-13H,4-11H2,1-3H3,(H3,15,16,17)
InChIKeyBMWOEIAXHKNKJY-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.67
Rot. Bonds6

About 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-propylguanidine

1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-propylguanidine (PubChem CID 111057510) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-propylguanidine.

Molecular Properties

Compound Name1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-propylguanidine
PubChem CID111057510
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCCN1CC(C)CC(C)C1
InChIInChI=1S/C14H30N4/c1-4-6-16-14(15)17-7-5-8-18-10-12(2)9-13(3)11-18/h12-13H,4-11H2,1-3H3,(H3,15,16,17)
InChIKeyBMWOEIAXHKNKJY-UHFFFAOYSA-N
XLogP1.67
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide
CID 111060442
1-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-2-methylguanidine
CID 124841464
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111057554
1-butyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine
CID 111060231
1-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-(furan-2-ylmethyl)guanidine
CID 95278707
1-tert-butyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine
CID 111057518
1-tert-butyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111057517
1-(4-morpholin-4-ylbutyl)-2-propylguanidine;hydroiodide
CID 111059844
1-tert-butyl-2-[4-(3,5-dimethylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111060450
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
CID 70842274
1-(3-cyclopropylpropyl)-2-propylguanidine
CID 115679595
2-butyl-1-[2-(4-methylpiperidin-1-yl)ethyl]guanidine
CID 111056663

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-propylguanidine?
The IUPAC name of 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-propylguanidine (CID 111057510) is 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-propylguanidine.
What is the SMILES notation for 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-propylguanidine?
The canonical SMILES for 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-propylguanidine is CCC/N=C(\N)NCCCN1CC(C)CC(C)C1.
What is the InChIKey of 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-propylguanidine?
The InChIKey is BMWOEIAXHKNKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-4-6-16-14(15)17-7-5-8-18-10-12(2)9-13(3)11-18/h12-13H,4-11H2,1-3H3,(H3,15,16,17).
What are the key properties of 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-propylguanidine?
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-propylguanidine has a molecular weight of 254.42 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-propylguanidine is sourced from PubChem (CID 111057510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).