1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine

C21H36N6O — CID 111187853

IUPAC1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine
SMILESCCN/C(=N\Cc1ccc(N2CCC(C)CC2)nc1)NCCN1CCOCC1
InChIInChI=1S/C21H36N6O/c1-3-22-21(23-8-11-26-12-14-28-15-13-26)25-17-19-4-5-20(24-16-19)27-9-6-18(2)7-10-27/h4-5,16,18H,3,6-15,17H2,1-2H3,(H2,22,23,25)
InChIKeyUHTOPZHVYSCGFT-UHFFFAOYSA-N
MW388.56 g/mol
LogP1.71
Rot. Bonds7

About 1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine

1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine (PubChem CID 111187853) has the molecular formula C21H36N6O and a molecular weight of 388.56 g/mol. Its IUPAC name is 1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine
PubChem CID111187853
Molecular FormulaC21H36N6O
Molecular Weight388.56 g/mol
Exact Mass388.30
IUPAC Name1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine
SMILESCCN/C(=N\Cc1ccc(N2CCC(C)CC2)nc1)NCCN1CCOCC1
InChIInChI=1S/C21H36N6O/c1-3-22-21(23-8-11-26-12-14-28-15-13-26)25-17-19-4-5-20(24-16-19)27-9-6-18(2)7-10-27/h4-5,16,18H,3,6-15,17H2,1-2H3,(H2,22,23,25)
InChIKeyUHTOPZHVYSCGFT-UHFFFAOYSA-N
XLogP1.71
TPSA65.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-3-(2-morpholin-4-ylethyl)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111188291
1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111416008
2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111187608
1-ethyl-2-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111388118
2-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111416884
2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-ethyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111387059
N,N-diethyl-3-[[N-ethyl-N'-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]carbamimidoyl]amino]propanamide
CID 111942085
1-cyclopentyl-3-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine
CID 110989623
1-(cyclopropylmethyl)-3-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111869931
1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(4-methylsulfanylbutyl)guanidine
CID 111629276
1-ethyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188622
N,N-diethyl-3-[[N-ethyl-N'-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111942084

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine?
The IUPAC name of 1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine (CID 111187853) is 1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine is CCN/C(=N\Cc1ccc(N2CCC(C)CC2)nc1)NCCN1CCOCC1.
What is the InChIKey of 1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine?
The InChIKey is UHTOPZHVYSCGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N6O/c1-3-22-21(23-8-11-26-12-14-28-15-13-26)25-17-19-4-5-20(24-16-19)27-9-6-18(2)7-10-27/h4-5,16,18H,3,6-15,17H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine?
1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine has a molecular weight of 388.56 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine is sourced from PubChem (CID 111187853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).