1-ethyl-2-(5-piperidin-1-ylpentyl)-3-(2-pyridin-2-ylethyl)guanidine

C20H35N5 — CID 111781964

IUPAC1-ethyl-2-(5-piperidin-1-ylpentyl)-3-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCCCCN1CCCCC1)NCCc1ccccn1
InChIInChI=1S/C20H35N5/c1-2-21-20(24-15-12-19-11-5-7-13-22-19)23-14-6-3-8-16-25-17-9-4-10-18-25/h5,7,11,13H,2-4,6,8-10,12,14-18H2,1H3,(H2,21,23,24)
InChIKeyFARRLIOINNUYKW-UHFFFAOYSA-N
MW345.53 g/mol
LogP2.84
Rot. Bonds10

About 1-ethyl-2-(5-piperidin-1-ylpentyl)-3-(2-pyridin-2-ylethyl)guanidine

1-ethyl-2-(5-piperidin-1-ylpentyl)-3-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111781964) has the molecular formula C20H35N5 and a molecular weight of 345.53 g/mol. Its IUPAC name is 1-ethyl-2-(5-piperidin-1-ylpentyl)-3-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(5-piperidin-1-ylpentyl)-3-(2-pyridin-2-ylethyl)guanidine
PubChem CID111781964
Molecular FormulaC20H35N5
Molecular Weight345.53 g/mol
Exact Mass345.29
IUPAC Name1-ethyl-2-(5-piperidin-1-ylpentyl)-3-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCCCCN1CCCCC1)NCCc1ccccn1
InChIInChI=1S/C20H35N5/c1-2-21-20(24-15-12-19-11-5-7-13-22-19)23-14-6-3-8-16-25-17-9-4-10-18-25/h5,7,11,13H,2-4,6,8-10,12,14-18H2,1H3,(H2,21,23,24)
InChIKeyFARRLIOINNUYKW-UHFFFAOYSA-N
XLogP2.84
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 52.84
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'}

Analyze 1-ethyl-2-(5-piperidin-1-ylpentyl)-3-(2-pyridin-2-ylethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2-[4-(4-methylpiperidin-1-yl)butyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111191718
2-methyl-1-(5-piperidin-1-ylpentyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111782050
1-ethyl-3-(2-pyridin-2-ylethyl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine
CID 111194092
1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine
CID 111191182
methyl 6-[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]hexanoate
CID 111194562
1-[2-(azepan-1-yl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111192230
1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111194136
1-ethyl-2-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111567749
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide
CID 111785670
1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 111882583
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111192434
2-(3-cyclopentylpropyl)-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192665

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(5-piperidin-1-ylpentyl)-3-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-ethyl-2-(5-piperidin-1-ylpentyl)-3-(2-pyridin-2-ylethyl)guanidine (CID 111781964) is 1-ethyl-2-(5-piperidin-1-ylpentyl)-3-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(5-piperidin-1-ylpentyl)-3-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-(5-piperidin-1-ylpentyl)-3-(2-pyridin-2-ylethyl)guanidine is CCN/C(=N\CCCCCN1CCCCC1)NCCc1ccccn1.
What is the InChIKey of 1-ethyl-2-(5-piperidin-1-ylpentyl)-3-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is FARRLIOINNUYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5/c1-2-21-20(24-15-12-19-11-5-7-13-22-19)23-14-6-3-8-16-25-17-9-4-10-18-25/h5,7,11,13H,2-4,6,8-10,12,14-18H2,1H3,(H2,21,23,24).
What are the key properties of 1-ethyl-2-(5-piperidin-1-ylpentyl)-3-(2-pyridin-2-ylethyl)guanidine?
1-ethyl-2-(5-piperidin-1-ylpentyl)-3-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 345.53 g/mol, XLogP of 2.84, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(5-piperidin-1-ylpentyl)-3-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111781964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).