N-ethyl-N'-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide

C23H38N4O — CID 109454028

IUPACN-ethyl-N'-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(CN2CCC(O)CC2)cc1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C23H38N4O/c1-6-24-21(27-17-22(2,3)23(27,4)5)25-15-18-7-9-19(10-8-18)16-26-13-11-20(28)12-14-26/h7-10,20,28H,6,11-17H2,1-5H3,(H,24,25)
InChIKeyGIARYOGFXUCQRA-UHFFFAOYSA-N
MW386.58 g/mol
LogP3.23
Rot. Bonds5

About N-ethyl-N'-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide

N-ethyl-N'-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide (PubChem CID 109454028) has the molecular formula C23H38N4O and a molecular weight of 386.58 g/mol. Its IUPAC name is N-ethyl-N'-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide
PubChem CID109454028
Molecular FormulaC23H38N4O
Molecular Weight386.58 g/mol
Exact Mass386.30
IUPAC NameN-ethyl-N'-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(CN2CCC(O)CC2)cc1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C23H38N4O/c1-6-24-21(27-17-22(2,3)23(27,4)5)25-15-18-7-9-19(10-8-18)16-26-13-11-20(28)12-14-26/h7-10,20,28H,6,11-17H2,1-5H3,(H,24,25)
InChIKeyGIARYOGFXUCQRA-UHFFFAOYSA-N
XLogP3.23
TPSA51.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 53.23
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

1-ethyl-2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-propylguanidine
CID 111763455
(3R)-N'-[[4-(azepan-1-ylmethyl)phenyl]methyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide
CID 111551446
N-ethyl-2,2,3,3-tetramethyl-N'-(thiophen-3-ylmethyl)azetidine-1-carboximidamide;hydroiodide
CID 109453529
1-ethyl-2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111760306
1-ethyl-2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111767897
1-ethyl-2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111767896
1-ethyl-3-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111411432
N'-[(1-benzylimidazol-2-yl)methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109453102
N-ethyl-2,2,3,3-tetramethyl-N'-[(3-nitrophenyl)methyl]azetidine-1-carboximidamide
CID 109452391
N-ethyl-2,2,3,3-tetramethyl-N'-(thiophen-2-ylmethyl)azetidine-1-carboximidamide
CID 109453208
1-ethyl-3-(4-hydroxycyclohexyl)-2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111191000
(3R)-N'-[(4-chlorophenyl)methyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide
CID 111551016

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide (CID 109454028) is N-ethyl-N'-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide is CCN/C(=N\Cc1ccc(CN2CCC(O)CC2)cc1)N1CC(C)(C)C1(C)C.
What is the InChIKey of N-ethyl-N'-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide?
The InChIKey is GIARYOGFXUCQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O/c1-6-24-21(27-17-22(2,3)23(27,4)5)25-15-18-7-9-19(10-8-18)16-26-13-11-20(28)12-14-26/h7-10,20,28H,6,11-17H2,1-5H3,(H,24,25).
What are the key properties of N-ethyl-N'-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide?
N-ethyl-N'-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide has a molecular weight of 386.58 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide is sourced from PubChem (CID 109454028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).