4-benzyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboximidamide

C19H31N5O — CID 110959927

IUPAC4-benzyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboximidamide
SMILESC/N=C(\NCC1CN(C)CCO1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H31N5O/c1-20-19(21-14-18-16-22(2)12-13-25-18)24-10-8-23(9-11-24)15-17-6-4-3-5-7-17/h3-7,18H,8-16H2,1-2H3,(H,20,21)
InChIKeyQDAFMDPQQSFULP-UHFFFAOYSA-N
MW345.49 g/mol
LogP0.71
Rot. Bonds4

About 4-benzyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboximidamide

4-benzyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboximidamide (PubChem CID 110959927) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-benzyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-benzyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboximidamide
PubChem CID110959927
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name4-benzyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboximidamide
SMILESC/N=C(\NCC1CN(C)CCO1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H31N5O/c1-20-19(21-14-18-16-22(2)12-13-25-18)24-10-8-23(9-11-24)15-17-6-4-3-5-7-17/h3-7,18H,8-16H2,1-2H3,(H,20,21)
InChIKeyQDAFMDPQQSFULP-UHFFFAOYSA-N
XLogP0.71
TPSA43.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 50.71
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'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide
CID 111218863
N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111527649
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-benzyl-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 110959930
2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(2-phenylethyl)guanidine
CID 111134903
N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480572
4-benzyl-N'-methyl-N-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110960598
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
4-benzyl-N-[(1-ethylpiperidin-3-yl)methyl]-N'-methylpiperazine-1-carboximidamide
CID 110959635
2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(4-phenylbutan-2-yl)guanidine
CID 111172057
1-[2-(4-benzylpiperazin-1-yl)ethyl]-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 111368802
4-benzyl-N'-methyl-N-(4-morpholin-4-ylbutyl)piperazine-1-carboximidamide
CID 110959679
methyl 1-[N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111255104

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboximidamide?
The IUPAC name of 4-benzyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboximidamide (CID 110959927) is 4-benzyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-benzyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-benzyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboximidamide is C/N=C(\NCC1CN(C)CCO1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboximidamide?
The InChIKey is QDAFMDPQQSFULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-20-19(21-14-18-16-22(2)12-13-25-18)24-10-8-23(9-11-24)15-17-6-4-3-5-7-17/h3-7,18H,8-16H2,1-2H3,(H,20,21).
What are the key properties of 4-benzyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboximidamide?
4-benzyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboximidamide has a molecular weight of 345.49 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboximidamide is sourced from PubChem (CID 110959927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).