4-benzyl-N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]piperidine-1-carboximidamide

C24H41N5 — CID 111152764

IUPAC4-benzyl-N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CC(C)N1CCN(CC)CC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H41N5/c1-4-25-24(26-20-21(3)28-17-15-27(5-2)16-18-28)29-13-11-23(12-14-29)19-22-9-7-6-8-10-22/h6-10,21,23H,4-5,11-20H2,1-3H3,(H,25,26)
InChIKeyPTXPNDBNPVHZCU-UHFFFAOYSA-N
MW399.63 g/mol
LogP2.93
Rot. Bonds7

About 4-benzyl-N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]piperidine-1-carboximidamide

4-benzyl-N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]piperidine-1-carboximidamide (PubChem CID 111152764) has the molecular formula C24H41N5 and a molecular weight of 399.63 g/mol. Its IUPAC name is 4-benzyl-N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-benzyl-N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
PubChem CID111152764
Molecular FormulaC24H41N5
Molecular Weight399.63 g/mol
Exact Mass399.34
IUPAC Name4-benzyl-N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CC(C)N1CCN(CC)CC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H41N5/c1-4-25-24(26-20-21(3)28-17-15-27(5-2)16-18-28)29-13-11-23(12-14-29)19-22-9-7-6-8-10-22/h6-10,21,23H,4-5,11-20H2,1-3H3,(H,25,26)
InChIKeyPTXPNDBNPVHZCU-UHFFFAOYSA-N
XLogP2.93
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.63
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-N-ethyl-N'-(3-hydroxy-2-methylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111152689
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110960866
4-benzyl-N'-(cyclopropylmethyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111152565
4-benzyl-N-ethyl-N'-(2-morpholin-4-ylpropyl)piperazine-1-carboximidamide
CID 110959577
4-benzyl-N-ethyl-N'-(2-morpholin-4-ylethyl)piperidine-1-carboximidamide
CID 111152726
N-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425771
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-(4-methoxyphenyl)pyrrolidine-1-carboximidamide
CID 111731547
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
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111145103
4-[[[(4-benzylpiperidin-1-yl)-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111152426

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]piperidine-1-carboximidamide?
The IUPAC name of 4-benzyl-N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]piperidine-1-carboximidamide (CID 111152764) is 4-benzyl-N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-benzyl-N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-benzyl-N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]piperidine-1-carboximidamide is CCN/C(=N\CC(C)N1CCN(CC)CC1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]piperidine-1-carboximidamide?
The InChIKey is PTXPNDBNPVHZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N5/c1-4-25-24(26-20-21(3)28-17-15-27(5-2)16-18-28)29-13-11-23(12-14-29)19-22-9-7-6-8-10-22/h6-10,21,23H,4-5,11-20H2,1-3H3,(H,25,26).
What are the key properties of 4-benzyl-N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]piperidine-1-carboximidamide?
4-benzyl-N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]piperidine-1-carboximidamide has a molecular weight of 399.63 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111152764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).