4-benzyl-N'-(cyclopropylmethyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide

C19H30IN3 — CID 111152565

IUPAC4-benzyl-N'-(cyclopropylmethyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CC1)N1CCC(Cc2ccccc2)CC1.I
InChIInChI=1S/C19H29N3.HI/c1-2-20-19(21-15-18-8-9-18)22-12-10-17(11-13-22)14-16-6-4-3-5-7-16;/h3-7,17-18H,2,8-15H2,1H3,(H,20,21);1H
InChIKeyIPKRZTSZHSSMJM-UHFFFAOYSA-N
MW427.37 g/mol
LogP3.93
Rot. Bonds5

About 4-benzyl-N'-(cyclopropylmethyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide

4-benzyl-N'-(cyclopropylmethyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111152565) has the molecular formula C19H30IN3 and a molecular weight of 427.37 g/mol. Its IUPAC name is 4-benzyl-N'-(cyclopropylmethyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-benzyl-N'-(cyclopropylmethyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111152565
Molecular FormulaC19H30IN3
Molecular Weight427.37 g/mol
Exact Mass427.15
IUPAC Name4-benzyl-N'-(cyclopropylmethyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CC1)N1CCC(Cc2ccccc2)CC1.I
InChIInChI=1S/C19H29N3.HI/c1-2-20-19(21-15-18-8-9-18)22-12-10-17(11-13-22)14-16-6-4-3-5-7-16;/h3-7,17-18H,2,8-15H2,1H3,(H,20,21);1H
InChIKeyIPKRZTSZHSSMJM-UHFFFAOYSA-N
XLogP3.93
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

4-benzyl-N-ethyl-N'-(3-hydroxy-2-methylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111152689
4-benzyl-N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111152790
N'-(cyclopropylmethyl)-N-ethyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110962040
4-benzyl-N-ethyl-N'-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111152663
4-benzyl-N-ethyl-N'-(2-methylsulfonylethyl)piperidine-1-carboximidamide
CID 111152524
4-benzyl-N-ethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111152641
2-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N-tert-butylacetamide;hydroiodide
CID 111152485
3-benzyl-N-ethyl-N'-[(1-propylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboximidamide
CID 111725115
4-benzyl-N-ethyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111152653
4-benzyl-N-ethyl-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide
CID 111152726
3-[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 111152458
4-benzyl-N-ethyl-N'-[2-(ethylsulfonylamino)ethyl]piperidine-1-carboximidamide
CID 111152474

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N'-(cyclopropylmethyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-benzyl-N'-(cyclopropylmethyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide (CID 111152565) is 4-benzyl-N'-(cyclopropylmethyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-benzyl-N'-(cyclopropylmethyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-benzyl-N'-(cyclopropylmethyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC1CC1)N1CCC(Cc2ccccc2)CC1.I.
What is the InChIKey of 4-benzyl-N'-(cyclopropylmethyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is IPKRZTSZHSSMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3.HI/c1-2-20-19(21-15-18-8-9-18)22-12-10-17(11-13-22)14-16-6-4-3-5-7-16;/h3-7,17-18H,2,8-15H2,1H3,(H,20,21);1H.
What are the key properties of 4-benzyl-N'-(cyclopropylmethyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide?
4-benzyl-N'-(cyclopropylmethyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 427.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N'-(cyclopropylmethyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111152565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).