2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(3-propan-2-ylphenyl)guanidine

C18H30N4 — CID 111056700

IUPAC2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(3-propan-2-ylphenyl)guanidine
SMILESCC1CCN(CC/N=C(\N)Nc2cccc(C(C)C)c2)CC1
InChIInChI=1S/C18H30N4/c1-14(2)16-5-4-6-17(13-16)21-18(19)20-9-12-22-10-7-15(3)8-11-22/h4-6,13-15H,7-12H2,1-3H3,(H3,19,20,21)
InChIKeyJZOLQNOUDXGUHL-UHFFFAOYSA-N
MW302.47 g/mol
LogP3.27
Rot. Bonds5

About 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(3-propan-2-ylphenyl)guanidine

2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(3-propan-2-ylphenyl)guanidine (PubChem CID 111056700) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(3-propan-2-ylphenyl)guanidine.

Molecular Properties

Compound Name2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(3-propan-2-ylphenyl)guanidine
PubChem CID111056700
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(3-propan-2-ylphenyl)guanidine
SMILESCC1CCN(CC/N=C(\N)Nc2cccc(C(C)C)c2)CC1
InChIInChI=1S/C18H30N4/c1-14(2)16-5-4-6-17(13-16)21-18(19)20-9-12-22-10-7-15(3)8-11-22/h4-6,13-15H,7-12H2,1-3H3,(H3,19,20,21)
InChIKeyJZOLQNOUDXGUHL-UHFFFAOYSA-N
XLogP3.27
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 53.27
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-[3-(4-methylpiperidin-1-yl)propyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111034877
2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111814614
2-[(1-ethylpyrrolidin-3-yl)methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111065554
2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111065361
2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111048778
2-(3-piperidin-1-ylbutyl)-1-(3-propan-2-ylphenyl)guanidine
CID 110032406
2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111099183
2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(3-ethylphenyl)guanidine
CID 111752612
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111099258
2-(2-ethylsulfonylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111100417
N-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095582
2-(2-tert-butylsulfinylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111811440

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(3-propan-2-ylphenyl)guanidine?
The IUPAC name of 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(3-propan-2-ylphenyl)guanidine (CID 111056700) is 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(3-propan-2-ylphenyl)guanidine.
What is the SMILES notation for 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(3-propan-2-ylphenyl)guanidine?
The canonical SMILES for 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(3-propan-2-ylphenyl)guanidine is CC1CCN(CC/N=C(\N)Nc2cccc(C(C)C)c2)CC1.
What is the InChIKey of 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(3-propan-2-ylphenyl)guanidine?
The InChIKey is JZOLQNOUDXGUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-14(2)16-5-4-6-17(13-16)21-18(19)20-9-12-22-10-7-15(3)8-11-22/h4-6,13-15H,7-12H2,1-3H3,(H3,19,20,21).
What are the key properties of 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(3-propan-2-ylphenyl)guanidine?
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(3-propan-2-ylphenyl)guanidine has a molecular weight of 302.47 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(3-propan-2-ylphenyl)guanidine is sourced from PubChem (CID 111056700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).