2-[(4-benzylmorpholin-2-yl)methyl]-1-pyridin-2-ylguanidine

C18H23N5O — CID 119117265

IUPAC2-[(4-benzylmorpholin-2-yl)methyl]-1-pyridin-2-ylguanidine
SMILESN/C(=N\CC1CN(Cc2ccccc2)CCO1)Nc1ccccn1
InChIInChI=1S/C18H23N5O/c19-18(22-17-8-4-5-9-20-17)21-12-16-14-23(10-11-24-16)13-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H3,19,20,21,22)
InChIKeyIBBPONPIRJGNIQ-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.71
Rot. Bonds5

About 2-[(4-benzylmorpholin-2-yl)methyl]-1-pyridin-2-ylguanidine

2-[(4-benzylmorpholin-2-yl)methyl]-1-pyridin-2-ylguanidine (PubChem CID 119117265) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-[(4-benzylmorpholin-2-yl)methyl]-1-pyridin-2-ylguanidine.

Molecular Properties

Compound Name2-[(4-benzylmorpholin-2-yl)methyl]-1-pyridin-2-ylguanidine
PubChem CID119117265
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-[(4-benzylmorpholin-2-yl)methyl]-1-pyridin-2-ylguanidine
SMILESN/C(=N\CC1CN(Cc2ccccc2)CCO1)Nc1ccccn1
InChIInChI=1S/C18H23N5O/c19-18(22-17-8-4-5-9-20-17)21-12-16-14-23(10-11-24-16)13-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H3,19,20,21,22)
InChIKeyIBBPONPIRJGNIQ-UHFFFAOYSA-N
XLogP1.71
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.71
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

2-(2-morpholin-4-ylethyl)-1-pyridin-2-ylguanidine;hydroiodide
CID 119117134
2-(azidomethyl)-4-benzylmorpholine
CID 19848617
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
2-[(1-phenylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119119120
1-(4-benzylmorpholin-2-yl)-N-iodomethanamine
CID 163437962
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221
2-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119161153
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
2-[(2-hydroxycyclopentyl)methyl]-1-pyridin-2-ylguanidine
CID 119146849
(2R)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine
CID 70159870
(2S)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine
CID 70161855
2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120662941

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylmorpholin-2-yl)methyl]-1-pyridin-2-ylguanidine?
The IUPAC name of 2-[(4-benzylmorpholin-2-yl)methyl]-1-pyridin-2-ylguanidine (CID 119117265) is 2-[(4-benzylmorpholin-2-yl)methyl]-1-pyridin-2-ylguanidine.
What is the SMILES notation for 2-[(4-benzylmorpholin-2-yl)methyl]-1-pyridin-2-ylguanidine?
The canonical SMILES for 2-[(4-benzylmorpholin-2-yl)methyl]-1-pyridin-2-ylguanidine is N/C(=N\CC1CN(Cc2ccccc2)CCO1)Nc1ccccn1.
What is the InChIKey of 2-[(4-benzylmorpholin-2-yl)methyl]-1-pyridin-2-ylguanidine?
The InChIKey is IBBPONPIRJGNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c19-18(22-17-8-4-5-9-20-17)21-12-16-14-23(10-11-24-16)13-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H3,19,20,21,22).
What are the key properties of 2-[(4-benzylmorpholin-2-yl)methyl]-1-pyridin-2-ylguanidine?
2-[(4-benzylmorpholin-2-yl)methyl]-1-pyridin-2-ylguanidine has a molecular weight of 325.42 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylmorpholin-2-yl)methyl]-1-pyridin-2-ylguanidine is sourced from PubChem (CID 119117265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).