1-ethyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(2-morpholin-4-ylpropyl)guanidine

C24H41N5O — CID 111789038

IUPAC1-ethyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)N1CCOCC1)NCC1CCN(Cc2ccc(C)cc2)CC1
InChIInChI=1S/C24H41N5O/c1-4-25-24(26-17-21(3)29-13-15-30-16-14-29)27-18-22-9-11-28(12-10-22)19-23-7-5-20(2)6-8-23/h5-8,21-22H,4,9-19H2,1-3H3,(H2,25,26,27)
InChIKeyYJZTUJRTCXFHJG-UHFFFAOYSA-N
MW415.63 g/mol
LogP2.48
Rot. Bonds8

About 1-ethyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(2-morpholin-4-ylpropyl)guanidine

1-ethyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(2-morpholin-4-ylpropyl)guanidine (PubChem CID 111789038) has the molecular formula C24H41N5O and a molecular weight of 415.63 g/mol. Its IUPAC name is 1-ethyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(2-morpholin-4-ylpropyl)guanidine
PubChem CID111789038
Molecular FormulaC24H41N5O
Molecular Weight415.63 g/mol
Exact Mass415.33
IUPAC Name1-ethyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)N1CCOCC1)NCC1CCN(Cc2ccc(C)cc2)CC1
InChIInChI=1S/C24H41N5O/c1-4-25-24(26-17-21(3)29-13-15-30-16-14-29)27-18-22-9-11-28(12-10-22)19-23-7-5-20(2)6-8-23/h5-8,21-22H,4,9-19H2,1-3H3,(H2,25,26,27)
InChIKeyYJZTUJRTCXFHJG-UHFFFAOYSA-N
XLogP2.48
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.63
LogP ≤ 52.48
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

1-ethyl-2-(2-morpholin-4-ylpropyl)-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111020888
1-(cyclopropylmethyl)-3-ethyl-2-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111867477
1-ethyl-2-(2-morpholin-4-ylpropyl)-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 111021701
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111021679
1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110915060
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]guanidine;hydroiodide
CID 109431870
1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111022101
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(cyclopropylmethyl)-3-ethylguanidine
CID 111870731
1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021480
1-ethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-(2-morpholin-4-ylpropyl)guanidine
CID 111021749
4-benzyl-N-ethyl-N'-(2-morpholin-4-ylpropyl)piperazine-1-carboximidamide
CID 110959577
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021468

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(2-morpholin-4-ylpropyl)guanidine (CID 111789038) is 1-ethyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(2-morpholin-4-ylpropyl)guanidine is CCN/C(=N\CC(C)N1CCOCC1)NCC1CCN(Cc2ccc(C)cc2)CC1.
What is the InChIKey of 1-ethyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(2-morpholin-4-ylpropyl)guanidine?
The InChIKey is YJZTUJRTCXFHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N5O/c1-4-25-24(26-17-21(3)29-13-15-30-16-14-29)27-18-22-9-11-28(12-10-22)19-23-7-5-20(2)6-8-23/h5-8,21-22H,4,9-19H2,1-3H3,(H2,25,26,27).
What are the key properties of 1-ethyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(2-morpholin-4-ylpropyl)guanidine?
1-ethyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(2-morpholin-4-ylpropyl)guanidine has a molecular weight of 415.63 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111789038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).