1-cyclopentyl-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine

C14H28N4 — CID 62367881

IUPAC1-cyclopentyl-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine
SMILESCC1CCN(CC/N=C(\N)NC2CCCC2)CC1
InChIInChI=1S/C14H28N4/c1-12-6-9-18(10-7-12)11-8-16-14(15)17-13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H3,15,16,17)
InChIKeyJNTXARQZAADOBV-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.57
Rot. Bonds4

About 1-cyclopentyl-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine

1-cyclopentyl-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine (PubChem CID 62367881) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine
PubChem CID62367881
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-cyclopentyl-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine
SMILESCC1CCN(CC/N=C(\N)NC2CCCC2)CC1
InChIInChI=1S/C14H28N4/c1-12-6-9-18(10-7-12)11-8-16-14(15)17-13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H3,15,16,17)
InChIKeyJNTXARQZAADOBV-UHFFFAOYSA-N
XLogP1.57
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
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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Related Compounds

1-cyclopentyl-2-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 119117536
1-cyclohexyl-2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]guanidine;hydroiodide
CID 111752643
1-cyclohexyl-2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]guanidine;hydroiodide
CID 111806095
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclopentylguanidine;hydroiodide
CID 119147656
1-cyclohexyl-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111056913
1-(2-methoxyethyl)-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine
CID 51131494
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclohexylguanidine;hydroiodide
CID 111567374
2-butyl-1-[2-(4-methylpiperidin-1-yl)ethyl]guanidine
CID 111056663
1-cyclohexyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111059840
1-cyclohexyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060057
1-cyclopentyl-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
CID 103677225
1-cyclohexyl-2-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 110957287

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine (CID 62367881) is 1-cyclopentyl-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine is CC1CCN(CC/N=C(\N)NC2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine?
The InChIKey is JNTXARQZAADOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-12-6-9-18(10-7-12)11-8-16-14(15)17-13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H3,15,16,17).
What are the key properties of 1-cyclopentyl-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine?
1-cyclopentyl-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine has a molecular weight of 252.41 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine is sourced from PubChem (CID 62367881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).