4-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N'-(2-hydroxyethyl)piperazine-1-carboximidamide

C16H30N4O — CID 111997601

IUPAC4-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N'-(2-hydroxyethyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\CCO)N1CCN(C2CC3CCC2C3)CC1
InChIInChI=1S/C16H30N4O/c1-2-17-16(18-5-10-21)20-8-6-19(7-9-20)15-12-13-3-4-14(15)11-13/h13-15,21H,2-12H2,1H3,(H,17,18)
InChIKeyWVDVNGYMOCNZJQ-UHFFFAOYSA-N
MW294.44 g/mol
LogP0.75
Rot. Bonds4

About 4-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N'-(2-hydroxyethyl)piperazine-1-carboximidamide

4-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N'-(2-hydroxyethyl)piperazine-1-carboximidamide (PubChem CID 111997601) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N'-(2-hydroxyethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N'-(2-hydroxyethyl)piperazine-1-carboximidamide
PubChem CID111997601
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name4-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N'-(2-hydroxyethyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\CCO)N1CCN(C2CC3CCC2C3)CC1
InChIInChI=1S/C16H30N4O/c1-2-17-16(18-5-10-21)20-8-6-19(7-9-20)15-12-13-3-4-14(15)11-13/h13-15,21H,2-12H2,1H3,(H,17,18)
InChIKeyWVDVNGYMOCNZJQ-UHFFFAOYSA-N
XLogP0.75
TPSA51.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 50.75
H-Bond Donors ≤ 52
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

2-[[[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110042530
N'-[(1-acetylpiperidin-4-yl)methyl]-4-(2-bicyclo[2.2.1]heptanyl)-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 119157411
4-(2-bicyclo[2.2.1]heptanyl)-N-[(1-hydroxycyclobutyl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 119156502
N-[(1-acetylpiperidin-4-yl)methyl]-4-(2-bicyclo[2.2.1]heptanyl)-N'-methylpiperazine-1-carboximidamide
CID 119157414
N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206042
4-(2-bicyclo[2.2.1]heptanyl)-N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119155436
4-(2-bicyclo[2.2.1]heptanyl)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N'-methylpiperazine-1-carboximidamide
CID 109406440
4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(5-hydroxy-4,4-dimethylpentyl)piperazine-1-carboxamide
CID 98800182
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethylsulfonylpiperazine
CID 7325613
2-[[[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110042517
N'-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide
CID 111168353
N-ethyl-4-methyl-N'-propylpiperidine-1-carboximidamide
CID 111211579

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N'-(2-hydroxyethyl)piperazine-1-carboximidamide?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N'-(2-hydroxyethyl)piperazine-1-carboximidamide (CID 111997601) is 4-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N'-(2-hydroxyethyl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N'-(2-hydroxyethyl)piperazine-1-carboximidamide?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N'-(2-hydroxyethyl)piperazine-1-carboximidamide is CCN/C(=N\CCO)N1CCN(C2CC3CCC2C3)CC1.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N'-(2-hydroxyethyl)piperazine-1-carboximidamide?
The InChIKey is WVDVNGYMOCNZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-2-17-16(18-5-10-21)20-8-6-19(7-9-20)15-12-13-3-4-14(15)11-13/h13-15,21H,2-12H2,1H3,(H,17,18).
What are the key properties of 4-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N'-(2-hydroxyethyl)piperazine-1-carboximidamide?
4-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N'-(2-hydroxyethyl)piperazine-1-carboximidamide has a molecular weight of 294.44 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N'-(2-hydroxyethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111997601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).