2-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-diethylguanidine

C20H34N4 — CID 110925686

IUPAC2-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-diethylguanidine
SMILESCCNC(=NCc1ccc(CN2CC(C)CC(C)C2)cc1)NCC
InChIInChI=1S/C20H34N4/c1-5-21-20(22-6-2)23-12-18-7-9-19(10-8-18)15-24-13-16(3)11-17(4)14-24/h7-10,16-17H,5-6,11-15H2,1-4H3,(H2,21,22,23)
InChIKeyOXXLJIVQSCBMNB-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.24
Rot. Bonds6

About 2-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-diethylguanidine

2-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-diethylguanidine (PubChem CID 110925686) has the molecular formula C20H34N4 and a molecular weight of 330.52 g/mol. Its IUPAC name is 2-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-diethylguanidine.

Molecular Properties

Compound Name2-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-diethylguanidine
PubChem CID110925686
Molecular FormulaC20H34N4
Molecular Weight330.52 g/mol
Exact Mass330.28
IUPAC Name2-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-diethylguanidine
SMILESCCNC(=NCc1ccc(CN2CC(C)CC(C)C2)cc1)NCC
InChIInChI=1S/C20H34N4/c1-5-21-20(22-6-2)23-12-18-7-9-19(10-8-18)15-24-13-16(3)11-17(4)14-24/h7-10,16-17H,5-6,11-15H2,1-4H3,(H2,21,22,23)
InChIKeyOXXLJIVQSCBMNB-UHFFFAOYSA-N
XLogP3.24
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111656800
1-ethyl-2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-prop-2-enylguanidine
CID 110979553
1,3-diethyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110915049
2-[[N-ethyl-N'-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365784
1-(cyclopropylmethyl)-3-ethyl-2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]guanidine
CID 111870312
2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-ethyl-3-(thiophen-2-ylmethyl)guanidine
CID 111258125
1-ethyl-2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125333
1-ethyl-3-(2-methoxyethyl)-2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110942845
1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111940682
2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111929055
2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111954399
1-ethyl-2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-propylguanidine
CID 111763455

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-diethylguanidine?
The IUPAC name of 2-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-diethylguanidine (CID 110925686) is 2-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-diethylguanidine.
What is the SMILES notation for 2-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-diethylguanidine?
The canonical SMILES for 2-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-diethylguanidine is CCNC(=NCc1ccc(CN2CC(C)CC(C)C2)cc1)NCC.
What is the InChIKey of 2-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-diethylguanidine?
The InChIKey is OXXLJIVQSCBMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4/c1-5-21-20(22-6-2)23-12-18-7-9-19(10-8-18)15-24-13-16(3)11-17(4)14-24/h7-10,16-17H,5-6,11-15H2,1-4H3,(H2,21,22,23).
What are the key properties of 2-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-diethylguanidine?
2-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-diethylguanidine has a molecular weight of 330.52 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-diethylguanidine is sourced from PubChem (CID 110925686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).