1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide

C20H42IN5 — CID 111784325

IUPAC1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
SMILESCCN/C(=N\CCC1CCN(CC)CC1)NC1CCN(C(C)C)CC1.I
InChIInChI=1S/C20H41N5.HI/c1-5-21-20(23-19-10-15-25(16-11-19)17(3)4)22-12-7-18-8-13-24(6-2)14-9-18;/h17-19H,5-16H2,1-4H3,(H2,21,22,23);1H
InChIKeyFHRUXBIPTSADQP-UHFFFAOYSA-N
MW479.50 g/mol
LogP3.15
Rot. Bonds7

About 1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide

1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide (PubChem CID 111784325) has the molecular formula C20H42IN5 and a molecular weight of 479.50 g/mol. Its IUPAC name is 1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
PubChem CID111784325
Molecular FormulaC20H42IN5
Molecular Weight479.50 g/mol
Exact Mass479.25
IUPAC Name1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
SMILESCCN/C(=N\CCC1CCN(CC)CC1)NC1CCN(C(C)C)CC1.I
InChIInChI=1S/C20H41N5.HI/c1-5-21-20(23-19-10-15-25(16-11-19)17(3)4)22-12-7-18-8-13-24(6-2)14-9-18;/h17-19H,5-16H2,1-4H3,(H2,21,22,23);1H
InChIKeyFHRUXBIPTSADQP-UHFFFAOYSA-N
XLogP3.15
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.50
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide 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-3-(1-propan-2-ylpiperidin-4-yl)-2-propylguanidine
CID 111318542
1-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317961
1-ethyl-2-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111017649
2-(2-ethoxyethyl)-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318357
1-ethyl-2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317711
1-ethyl-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317343
2-(2-tert-butylsulfinylethyl)-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111830390
1-ethyl-2-(2-methylsulfanylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111319264
N-[2-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]ethyl]acetamide;hydroiodide
CID 111318903
1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111319397
1-ethyl-2-(2-ethylsulfonylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318278
1-ethyl-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111317344

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide (CID 111784325) is 1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide is CCN/C(=N\CCC1CCN(CC)CC1)NC1CCN(C(C)C)CC1.I.
What is the InChIKey of 1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide?
The InChIKey is FHRUXBIPTSADQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N5.HI/c1-5-21-20(23-19-10-15-25(16-11-19)17(3)4)22-12-7-18-8-13-24(6-2)14-9-18;/h17-19H,5-16H2,1-4H3,(H2,21,22,23);1H.
What are the key properties of 1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide?
1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide has a molecular weight of 479.50 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide is sourced from PubChem (CID 111784325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).