4-benzyl-N-[(1-ethylpiperidin-3-yl)methyl]-N'-methylpiperazine-1-carboximidamide

C21H35N5 — CID 110959635

IUPAC4-benzyl-N-[(1-ethylpiperidin-3-yl)methyl]-N'-methylpiperazine-1-carboximidamide
SMILESCCN1CCCC(CN/C(=N\C)N2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C21H35N5/c1-3-24-11-7-10-20(18-24)16-23-21(22-2)26-14-12-25(13-15-26)17-19-8-5-4-6-9-19/h4-6,8-9,20H,3,7,10-18H2,1-2H3,(H,22,23)
InChIKeyOTPFQGFHSIFVGD-UHFFFAOYSA-N
MW357.55 g/mol
LogP2.11
Rot. Bonds5

About 4-benzyl-N-[(1-ethylpiperidin-3-yl)methyl]-N'-methylpiperazine-1-carboximidamide

4-benzyl-N-[(1-ethylpiperidin-3-yl)methyl]-N'-methylpiperazine-1-carboximidamide (PubChem CID 110959635) has the molecular formula C21H35N5 and a molecular weight of 357.55 g/mol. Its IUPAC name is 4-benzyl-N-[(1-ethylpiperidin-3-yl)methyl]-N'-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-benzyl-N-[(1-ethylpiperidin-3-yl)methyl]-N'-methylpiperazine-1-carboximidamide
PubChem CID110959635
Molecular FormulaC21H35N5
Molecular Weight357.55 g/mol
Exact Mass357.29
IUPAC Name4-benzyl-N-[(1-ethylpiperidin-3-yl)methyl]-N'-methylpiperazine-1-carboximidamide
SMILESCCN1CCCC(CN/C(=N\C)N2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C21H35N5/c1-3-24-11-7-10-20(18-24)16-23-21(22-2)26-14-12-25(13-15-26)17-19-8-5-4-6-9-19/h4-6,8-9,20H,3,7,10-18H2,1-2H3,(H,22,23)
InChIKeyOTPFQGFHSIFVGD-UHFFFAOYSA-N
XLogP2.11
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.55
LogP ≤ 52.11
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

N-[(1-ethylpiperidin-3-yl)methyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide
CID 110960917
N-[(1-ethylpiperidin-3-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426437
4-benzyl-N'-methyl-N-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110960598
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
CID 111148855
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
4-benzyl-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N'-methylpiperazine-1-carboximidamide
CID 110959963
4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 126426505
4-benzyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboximidamide
CID 110959927
N-[(1-ethylpyrrolidin-3-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109428071
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-benzyl-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 110959930
1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(1-ethylpiperidin-3-yl)methyl]-2-methylguanidine;hydroiodide
CID 109458063
1-benzyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylguanidine
CID 110954008

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[(1-ethylpiperidin-3-yl)methyl]-N'-methylpiperazine-1-carboximidamide?
The IUPAC name of 4-benzyl-N-[(1-ethylpiperidin-3-yl)methyl]-N'-methylpiperazine-1-carboximidamide (CID 110959635) is 4-benzyl-N-[(1-ethylpiperidin-3-yl)methyl]-N'-methylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-benzyl-N-[(1-ethylpiperidin-3-yl)methyl]-N'-methylpiperazine-1-carboximidamide?
The canonical SMILES for 4-benzyl-N-[(1-ethylpiperidin-3-yl)methyl]-N'-methylpiperazine-1-carboximidamide is CCN1CCCC(CN/C(=N\C)N2CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of 4-benzyl-N-[(1-ethylpiperidin-3-yl)methyl]-N'-methylpiperazine-1-carboximidamide?
The InChIKey is OTPFQGFHSIFVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5/c1-3-24-11-7-10-20(18-24)16-23-21(22-2)26-14-12-25(13-15-26)17-19-8-5-4-6-9-19/h4-6,8-9,20H,3,7,10-18H2,1-2H3,(H,22,23).
What are the key properties of 4-benzyl-N-[(1-ethylpiperidin-3-yl)methyl]-N'-methylpiperazine-1-carboximidamide?
4-benzyl-N-[(1-ethylpiperidin-3-yl)methyl]-N'-methylpiperazine-1-carboximidamide has a molecular weight of 357.55 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[(1-ethylpiperidin-3-yl)methyl]-N'-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 110959635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).