N-ethyl-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide

C21H36N6 — CID 111219457

IUPACN-ethyl-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CC1CCCN(C(C)C)C1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H36N6/c1-4-22-21(24-16-19-8-7-11-27(17-19)18(2)3)26-14-12-25(13-15-26)20-9-5-6-10-23-20/h5-6,9-10,18-19H,4,7-8,11-17H2,1-3H3,(H,22,24)
InChIKeyMABFWUHJGPYLGJ-UHFFFAOYSA-N
MW372.56 g/mol
LogP2.29
Rot. Bonds5

About N-ethyl-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide

N-ethyl-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide (PubChem CID 111219457) has the molecular formula C21H36N6 and a molecular weight of 372.56 g/mol. Its IUPAC name is N-ethyl-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
PubChem CID111219457
Molecular FormulaC21H36N6
Molecular Weight372.56 g/mol
Exact Mass372.30
IUPAC NameN-ethyl-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CC1CCCN(C(C)C)C1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H36N6/c1-4-22-21(24-16-19-8-7-11-27(17-19)18(2)3)26-14-12-25(13-15-26)20-9-5-6-10-23-20/h5-6,9-10,18-19H,4,7-8,11-17H2,1-3H3,(H,22,24)
InChIKeyMABFWUHJGPYLGJ-UHFFFAOYSA-N
XLogP2.29
TPSA47.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'-[(1,1-dioxothiolan-3-yl)methyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220795
N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219101
N-ethyl-N'-(2-methoxyethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219949
N'-[3-(cyclopropylmethoxy)propyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219663
N-ethyl-3-(phenylmethoxymethyl)-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111526906
N-ethyl-N'-(3-propan-2-yloxypropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111220639
N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219293
N-ethyl-4-pyridin-2-yl-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide
CID 111221185
N-ethyl-4-pyridin-2-yl-N'-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111220147
N-ethyl-4-pyridin-2-yl-N'-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide;hydroiodide
CID 111983962
N-ethyl-N'-(2-phenoxyethyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219578
N'-(4-ethoxybutyl)-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219436

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide (CID 111219457) is N-ethyl-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide is CCN/C(=N\CC1CCCN(C(C)C)C1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-ethyl-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide?
The InChIKey is MABFWUHJGPYLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N6/c1-4-22-21(24-16-19-8-7-11-27(17-19)18(2)3)26-14-12-25(13-15-26)20-9-5-6-10-23-20/h5-6,9-10,18-19H,4,7-8,11-17H2,1-3H3,(H,22,24).
What are the key properties of N-ethyl-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide?
N-ethyl-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide has a molecular weight of 372.56 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(1-propan-2-ylpiperidin-3-yl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 111219457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).