1-ethyl-2-[4-(4-methylpiperidin-1-yl)butyl]-3-(2-pyridin-2-ylethyl)guanidine

C20H35N5 — CID 111191718

IUPAC1-ethyl-2-[4-(4-methylpiperidin-1-yl)butyl]-3-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCCCN1CCC(C)CC1)NCCc1ccccn1
InChIInChI=1S/C20H35N5/c1-3-21-20(24-14-9-19-8-4-5-12-22-19)23-13-6-7-15-25-16-10-18(2)11-17-25/h4-5,8,12,18H,3,6-7,9-11,13-17H2,1-2H3,(H2,21,23,24)
InChIKeyRFMPICNSSSRAQZ-UHFFFAOYSA-N
MW345.54 g/mol
LogP2.69
Rot. Bonds9

About 1-ethyl-2-[4-(4-methylpiperidin-1-yl)butyl]-3-(2-pyridin-2-ylethyl)guanidine

1-ethyl-2-[4-(4-methylpiperidin-1-yl)butyl]-3-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111191718) has the molecular formula C20H35N5 and a molecular weight of 345.54 g/mol. Its IUPAC name is 1-ethyl-2-[4-(4-methylpiperidin-1-yl)butyl]-3-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[4-(4-methylpiperidin-1-yl)butyl]-3-(2-pyridin-2-ylethyl)guanidine
PubChem CID111191718
Molecular FormulaC20H35N5
Molecular Weight345.54 g/mol
Exact Mass345.29
IUPAC Name1-ethyl-2-[4-(4-methylpiperidin-1-yl)butyl]-3-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCCCN1CCC(C)CC1)NCCc1ccccn1
InChIInChI=1S/C20H35N5/c1-3-21-20(24-14-9-19-8-4-5-12-22-19)23-13-6-7-15-25-16-10-18(2)11-17-25/h4-5,8,12,18H,3,6-7,9-11,13-17H2,1-2H3,(H2,21,23,24)
InChIKeyRFMPICNSSSRAQZ-UHFFFAOYSA-N
XLogP2.69
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.54
LogP ≤ 52.69
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

1-ethyl-2-(5-piperidin-1-ylpentyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111781964
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
1-ethyl-3-(2-pyridin-2-ylethyl)-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 111968493
2-(3-cyclopentylpropyl)-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192665
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-(3-hydroxyphenyl)ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111388180
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111354823
N-ethyl-N'-[4-(4-methylpiperidin-1-yl)butyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219441
methyl 6-[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]hexanoate
CID 111194562
2-chloro-N-[2-[[N-ethyl-N'-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]benzamide
CID 111387233

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[4-(4-methylpiperidin-1-yl)butyl]-3-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-ethyl-2-[4-(4-methylpiperidin-1-yl)butyl]-3-(2-pyridin-2-ylethyl)guanidine (CID 111191718) is 1-ethyl-2-[4-(4-methylpiperidin-1-yl)butyl]-3-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[4-(4-methylpiperidin-1-yl)butyl]-3-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[4-(4-methylpiperidin-1-yl)butyl]-3-(2-pyridin-2-ylethyl)guanidine is CCN/C(=N\CCCCN1CCC(C)CC1)NCCc1ccccn1.
What is the InChIKey of 1-ethyl-2-[4-(4-methylpiperidin-1-yl)butyl]-3-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is RFMPICNSSSRAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5/c1-3-21-20(24-14-9-19-8-4-5-12-22-19)23-13-6-7-15-25-16-10-18(2)11-17-25/h4-5,8,12,18H,3,6-7,9-11,13-17H2,1-2H3,(H2,21,23,24).
What are the key properties of 1-ethyl-2-[4-(4-methylpiperidin-1-yl)butyl]-3-(2-pyridin-2-ylethyl)guanidine?
1-ethyl-2-[4-(4-methylpiperidin-1-yl)butyl]-3-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 345.54 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[4-(4-methylpiperidin-1-yl)butyl]-3-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111191718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).