N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]morpholine-4-carboximidamide

C16H25N5O — CID 111041191

IUPACN'-[(2-piperidin-1-yl-4-pyridinyl)methyl]morpholine-4-carboximidamide
SMILESN/C(=N\Cc1ccnc(N2CCCCC2)c1)N1CCOCC1
InChIInChI=1S/C16H25N5O/c17-16(21-8-10-22-11-9-21)19-13-14-4-5-18-15(12-14)20-6-2-1-3-7-20/h4-5,12H,1-3,6-11,13H2,(H2,17,19)
InChIKeyHBSMLUWCOIQWCE-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.22
Rot. Bonds3

About N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]morpholine-4-carboximidamide

N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]morpholine-4-carboximidamide (PubChem CID 111041191) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(2-piperidin-1-yl-4-pyridinyl)methyl]morpholine-4-carboximidamide
PubChem CID111041191
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN'-[(2-piperidin-1-yl-4-pyridinyl)methyl]morpholine-4-carboximidamide
SMILESN/C(=N\Cc1ccnc(N2CCCCC2)c1)N1CCOCC1
InChIInChI=1S/C16H25N5O/c17-16(21-8-10-22-11-9-21)19-13-14-4-5-18-15(12-14)20-6-2-1-3-7-20/h4-5,12H,1-3,6-11,13H2,(H2,17,19)
InChIKeyHBSMLUWCOIQWCE-UHFFFAOYSA-N
XLogP1.22
TPSA66.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.22
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'}

Analyze N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]morpholine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111041232
4-(4-fluorophenyl)-N'-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111041454
N'-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111061860
N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111041259
1-(3-morpholin-4-ylpropyl)-2-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine
CID 111041217
tert-butyl 4-[N'-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111041439
N'-[(2-cyclohexyloxy-4-pyridinyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111093946
1-tert-butyl-2-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine
CID 111041199
2-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-1,1,3,3-tetramethylguanidine
CID 111805510
N'-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-carboximidamide
CID 75467048
3-methyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide
CID 111049058
1-cyclohexyl-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111041376

Frequently Asked Questions

What is the IUPAC name of N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]morpholine-4-carboximidamide (CID 111041191) is N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]morpholine-4-carboximidamide is N/C(=N\Cc1ccnc(N2CCCCC2)c1)N1CCOCC1.
What is the InChIKey of N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]morpholine-4-carboximidamide?
The InChIKey is HBSMLUWCOIQWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c17-16(21-8-10-22-11-9-21)19-13-14-4-5-18-15(12-14)20-6-2-1-3-7-20/h4-5,12H,1-3,6-11,13H2,(H2,17,19).
What are the key properties of N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]morpholine-4-carboximidamide?
N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]morpholine-4-carboximidamide has a molecular weight of 303.41 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111041191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).