1-cyclohexyl-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine

C20H33N5 — CID 111059033

IUPAC1-cyclohexyl-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
SMILESN/C(=N\CCCN1CCN(c2ccccc2)CC1)NC1CCCCC1
InChIInChI=1S/C20H33N5/c21-20(23-18-8-3-1-4-9-18)22-12-7-13-24-14-16-25(17-15-24)19-10-5-2-6-11-19/h2,5-6,10-11,18H,1,3-4,7-9,12-17H2,(H3,21,22,23)
InChIKeyJLNIACVZLAYIEK-UHFFFAOYSA-N
MW343.52 g/mol
LogP2.44
Rot. Bonds6

About 1-cyclohexyl-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine

1-cyclohexyl-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine (PubChem CID 111059033) has the molecular formula C20H33N5 and a molecular weight of 343.52 g/mol. Its IUPAC name is 1-cyclohexyl-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
PubChem CID111059033
Molecular FormulaC20H33N5
Molecular Weight343.52 g/mol
Exact Mass343.27
IUPAC Name1-cyclohexyl-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
SMILESN/C(=N\CCCN1CCN(c2ccccc2)CC1)NC1CCCCC1
InChIInChI=1S/C20H33N5/c21-20(23-18-8-3-1-4-9-18)22-12-7-13-24-14-16-25(17-15-24)19-10-5-2-6-11-19/h2,5-6,10-11,18H,1,3-4,7-9,12-17H2,(H3,21,22,23)
InChIKeyJLNIACVZLAYIEK-UHFFFAOYSA-N
XLogP2.44
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

ethyl 4-[[N'-[3-(4-phenylpiperazin-1-yl)propyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111059073
1-cyclopentyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 119120815
1-cyclohexyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111059840
1-(3,4-dihydro-2H-chromen-4-yl)-2-[4-(4-phenylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 111598869
1-(2-phenylethyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111059039
N'-cyclohexyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 42268287
1-(3-methylbutyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111059029
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
1-(4-methylphenyl)-2-[4-(4-phenylpiperazin-1-yl)butyl]guanidine
CID 111061935
1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111190517
1-cyclohexyl-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111056913
4-methyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide
CID 110921127

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine (CID 111059033) is 1-cyclohexyl-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine is N/C(=N\CCCN1CCN(c2ccccc2)CC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine?
The InChIKey is JLNIACVZLAYIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5/c21-20(23-18-8-3-1-4-9-18)22-12-7-13-24-14-16-25(17-15-24)19-10-5-2-6-11-19/h2,5-6,10-11,18H,1,3-4,7-9,12-17H2,(H3,21,22,23).
What are the key properties of 1-cyclohexyl-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine?
1-cyclohexyl-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine has a molecular weight of 343.52 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine is sourced from PubChem (CID 111059033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).