N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide

C21H34N4O2 — CID 111363347

IUPACN-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\CC1(O)CCCC1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C21H34N4O2/c1-2-22-20(23-18-21(26)10-6-7-11-21)25-14-12-24(13-15-25)16-17-27-19-8-4-3-5-9-19/h3-5,8-9,26H,2,6-7,10-18H2,1H3,(H,22,23)
InChIKeyMMRXSNRDDQCENM-UHFFFAOYSA-N
MW374.53 g/mol
LogP1.95
Rot. Bonds7

About N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide

N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide (PubChem CID 111363347) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide
PubChem CID111363347
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC NameN-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\CC1(O)CCCC1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C21H34N4O2/c1-2-22-20(23-18-21(26)10-6-7-11-21)25-14-12-24(13-15-25)16-17-27-19-8-4-3-5-9-19/h3-5,8-9,26H,2,6-7,10-18H2,1H3,(H,22,23)
InChIKeyMMRXSNRDDQCENM-UHFFFAOYSA-N
XLogP1.95
TPSA60.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.95
H-Bond Donors ≤ 52
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-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide
CID 111363367
N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboximidamide
CID 111290235
N-[2-[[ethylamino-[4-(2-phenoxyethyl)piperazin-1-yl]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111363362
N-ethyl-N'-[2-(furan-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide;hydroiodide
CID 111363350
1-ethyl-2-[(1-hydroxycyclohexyl)methyl]-3-(2-phenoxyethyl)guanidine
CID 111004629
1-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]cyclohexan-1-ol
CID 110905104
N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206787
N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(2-methylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111326971
1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111834156
N-ethyl-N'-[(1-hydroxycyclobutyl)methyl]pyrrolidine-1-carboximidamide
CID 111546529
3-benzyl-N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111991240
N,N-dimethyl-2-[[[4-(2-phenoxyethyl)piperazin-1-yl]-(propylamino)methylidene]amino]acetamide
CID 110038095

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide (CID 111363347) is N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide is CCN/C(=N\CC1(O)CCCC1)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide?
The InChIKey is MMRXSNRDDQCENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-2-22-20(23-18-21(26)10-6-7-11-21)25-14-12-24(13-15-25)16-17-27-19-8-4-3-5-9-19/h3-5,8-9,26H,2,6-7,10-18H2,1H3,(H,22,23).
What are the key properties of N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide?
N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide has a molecular weight of 374.53 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111363347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).