N-ethyl-3-methyl-N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide

C19H38N4 — CID 111145412

IUPACN-ethyl-3-methyl-N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CCCCN1CCCCC1C)N1CCCC(C)C1
InChIInChI=1S/C19H38N4/c1-4-20-19(23-15-9-10-17(2)16-23)21-12-6-8-14-22-13-7-5-11-18(22)3/h17-18H,4-16H2,1-3H3,(H,20,21)
InChIKeyKTOUIPCTZXBCTI-UHFFFAOYSA-N
MW322.54 g/mol
LogP3.34
Rot. Bonds6

About N-ethyl-3-methyl-N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide

N-ethyl-3-methyl-N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide (PubChem CID 111145412) has the molecular formula C19H38N4 and a molecular weight of 322.54 g/mol. Its IUPAC name is N-ethyl-3-methyl-N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
PubChem CID111145412
Molecular FormulaC19H38N4
Molecular Weight322.54 g/mol
Exact Mass322.31
IUPAC NameN-ethyl-3-methyl-N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\CCCCN1CCCCC1C)N1CCCC(C)C1
InChIInChI=1S/C19H38N4/c1-4-20-19(23-15-9-10-17(2)16-23)21-12-6-8-14-22-13-7-5-11-18(22)3/h17-18H,4-16H2,1-3H3,(H,20,21)
InChIKeyKTOUIPCTZXBCTI-UHFFFAOYSA-N
XLogP3.34
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 53.34
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-ethyl-3-methyl-N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111145411
4-acetyl-N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide
CID 110963597
4-acetyl-N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 110963596
N-ethyl-N'-[4-(3-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110955493
1-[4-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]butyl]piperidine-4-carboxamide
CID 111145118
N-ethyl-3-(methoxymethyl)-N'-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111735216
1-[3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide
CID 111144573
tert-butyl N-[1-[N-ethyl-N'-[3-(2-methylpiperidin-1-yl)propyl]carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111728997
N-ethyl-N'-(5-methoxypentyl)-3-methylpiperidine-1-carboximidamide
CID 111144570
N-ethyl-N'-[4-(2-methylpiperidin-1-yl)butyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109379165
4-acetyl-N-ethyl-N'-[2-(2-methylpiperidin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 110962566
(3R)-N-ethyl-3-hydroxy-N'-[4-(3-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboximidamide
CID 111550834

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide?
The IUPAC name of N-ethyl-3-methyl-N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide (CID 111145412) is N-ethyl-3-methyl-N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-3-methyl-N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-3-methyl-N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide is CCN/C(=N\CCCCN1CCCCC1C)N1CCCC(C)C1.
What is the InChIKey of N-ethyl-3-methyl-N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide?
The InChIKey is KTOUIPCTZXBCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4/c1-4-20-19(23-15-9-10-17(2)16-23)21-12-6-8-14-22-13-7-5-11-18(22)3/h17-18H,4-16H2,1-3H3,(H,20,21).
What are the key properties of N-ethyl-3-methyl-N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide?
N-ethyl-3-methyl-N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide has a molecular weight of 322.54 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111145412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).