4-benzyl-N-[4-(diethylamino)butyl]-N'-methylpiperidine-1-carboximidamide

C22H38N4 — CID 111152434

IUPAC4-benzyl-N-[4-(diethylamino)butyl]-N'-methylpiperidine-1-carboximidamide
SMILESCCN(CC)CCCCN/C(=N\C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H38N4/c1-4-25(5-2)16-10-9-15-24-22(23-3)26-17-13-21(14-18-26)19-20-11-7-6-8-12-20/h6-8,11-12,21H,4-5,9-10,13-19H2,1-3H3,(H,23,24)
InChIKeyMXLPAKKBAPMRPK-UHFFFAOYSA-N
MW358.57 g/mol
LogP3.64
Rot. Bonds9

About 4-benzyl-N-[4-(diethylamino)butyl]-N'-methylpiperidine-1-carboximidamide

4-benzyl-N-[4-(diethylamino)butyl]-N'-methylpiperidine-1-carboximidamide (PubChem CID 111152434) has the molecular formula C22H38N4 and a molecular weight of 358.57 g/mol. Its IUPAC name is 4-benzyl-N-[4-(diethylamino)butyl]-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-benzyl-N-[4-(diethylamino)butyl]-N'-methylpiperidine-1-carboximidamide
PubChem CID111152434
Molecular FormulaC22H38N4
Molecular Weight358.57 g/mol
Exact Mass358.31
IUPAC Name4-benzyl-N-[4-(diethylamino)butyl]-N'-methylpiperidine-1-carboximidamide
SMILESCCN(CC)CCCCN/C(=N\C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H38N4/c1-4-25(5-2)16-10-9-15-24-22(23-3)26-17-13-21(14-18-26)19-20-11-7-6-8-12-20/h6-8,11-12,21H,4-5,9-10,13-19H2,1-3H3,(H,23,24)
InChIKeyMXLPAKKBAPMRPK-UHFFFAOYSA-N
XLogP3.64
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.57
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-[4-(diethylamino)butyl]-N'-methyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboximidamide
CID 111749023
N-[4-(diethylamino)butyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111723251
4-benzyl-N'-methyl-N-(4-morpholin-4-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111152499
3-benzyl-N'-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111725268
4-benzyl-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111152941
3-benzyl-N-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111725338
methyl 1-[N-[4-(diethylamino)butyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111253494
N-[2-[[C-(3-benzylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-2-methylpropanamide
CID 111724827
3-benzyl-N-[3-(2-methoxyethoxy)propyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111725147
N-[4-[2-[[C-(4-benzylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]phenyl]acetamide
CID 111152946
methyl 6-[[C-(3-benzylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]hexanoate;hydroiodide
CID 111724452
3-benzyl-N-(2-methoxyethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111725187

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[4-(diethylamino)butyl]-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of 4-benzyl-N-[4-(diethylamino)butyl]-N'-methylpiperidine-1-carboximidamide (CID 111152434) is 4-benzyl-N-[4-(diethylamino)butyl]-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-benzyl-N-[4-(diethylamino)butyl]-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for 4-benzyl-N-[4-(diethylamino)butyl]-N'-methylpiperidine-1-carboximidamide is CCN(CC)CCCCN/C(=N\C)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-[4-(diethylamino)butyl]-N'-methylpiperidine-1-carboximidamide?
The InChIKey is MXLPAKKBAPMRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4/c1-4-25(5-2)16-10-9-15-24-22(23-3)26-17-13-21(14-18-26)19-20-11-7-6-8-12-20/h6-8,11-12,21H,4-5,9-10,13-19H2,1-3H3,(H,23,24).
What are the key properties of 4-benzyl-N-[4-(diethylamino)butyl]-N'-methylpiperidine-1-carboximidamide?
4-benzyl-N-[4-(diethylamino)butyl]-N'-methylpiperidine-1-carboximidamide has a molecular weight of 358.57 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[4-(diethylamino)butyl]-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111152434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).