2-(3-piperidin-1-ylbutyl)-1-(3-propan-2-ylphenyl)guanidine

C19H32N4 — CID 110032406

IUPAC2-(3-piperidin-1-ylbutyl)-1-(3-propan-2-ylphenyl)guanidine
SMILESCC(C)c1cccc(N/C(N)=N/CCC(C)N2CCCCC2)c1
InChIInChI=1S/C19H32N4/c1-15(2)17-8-7-9-18(14-17)22-19(20)21-11-10-16(3)23-12-5-4-6-13-23/h7-9,14-16H,4-6,10-13H2,1-3H3,(H3,20,21,22)
InChIKeyOJEQNNCDVMIGOR-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.80
Rot. Bonds6

About 2-(3-piperidin-1-ylbutyl)-1-(3-propan-2-ylphenyl)guanidine

2-(3-piperidin-1-ylbutyl)-1-(3-propan-2-ylphenyl)guanidine (PubChem CID 110032406) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylbutyl)-1-(3-propan-2-ylphenyl)guanidine.

Molecular Properties

Compound Name2-(3-piperidin-1-ylbutyl)-1-(3-propan-2-ylphenyl)guanidine
PubChem CID110032406
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC Name2-(3-piperidin-1-ylbutyl)-1-(3-propan-2-ylphenyl)guanidine
SMILESCC(C)c1cccc(N/C(N)=N/CCC(C)N2CCCCC2)c1
InChIInChI=1S/C19H32N4/c1-15(2)17-8-7-9-18(14-17)22-19(20)21-11-10-16(3)23-12-5-4-6-13-23/h7-9,14-16H,4-6,10-13H2,1-3H3,(H3,20,21,22)
InChIKeyOJEQNNCDVMIGOR-UHFFFAOYSA-N
XLogP3.80
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.80
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'}

Analyze 2-(3-piperidin-1-ylbutyl)-1-(3-propan-2-ylphenyl)guanidine 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

1-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylbutyl)guanidine
CID 110032364
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide
CID 110032395
1-(3-propan-2-ylphenyl)-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 111086361
2-(2-cyclopropylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111814614
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111056700
2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111096065
1-(3-propan-2-ylphenyl)-2-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]guanidine
CID 111093761
2-[3-(4-methylpiperidin-1-yl)propyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111034877
2-(2-ethylsulfonylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111100417
2-(2-tert-butylsulfinylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111811440
2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111065361
methyl 3-[[amino-(3-propan-2-ylanilino)methylidene]amino]propanoate
CID 111063925

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-1-ylbutyl)-1-(3-propan-2-ylphenyl)guanidine?
The IUPAC name of 2-(3-piperidin-1-ylbutyl)-1-(3-propan-2-ylphenyl)guanidine (CID 110032406) is 2-(3-piperidin-1-ylbutyl)-1-(3-propan-2-ylphenyl)guanidine.
What is the SMILES notation for 2-(3-piperidin-1-ylbutyl)-1-(3-propan-2-ylphenyl)guanidine?
The canonical SMILES for 2-(3-piperidin-1-ylbutyl)-1-(3-propan-2-ylphenyl)guanidine is CC(C)c1cccc(N/C(N)=N/CCC(C)N2CCCCC2)c1.
What is the InChIKey of 2-(3-piperidin-1-ylbutyl)-1-(3-propan-2-ylphenyl)guanidine?
The InChIKey is OJEQNNCDVMIGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4/c1-15(2)17-8-7-9-18(14-17)22-19(20)21-11-10-16(3)23-12-5-4-6-13-23/h7-9,14-16H,4-6,10-13H2,1-3H3,(H3,20,21,22).
What are the key properties of 2-(3-piperidin-1-ylbutyl)-1-(3-propan-2-ylphenyl)guanidine?
2-(3-piperidin-1-ylbutyl)-1-(3-propan-2-ylphenyl)guanidine has a molecular weight of 316.49 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-ylbutyl)-1-(3-propan-2-ylphenyl)guanidine is sourced from PubChem (CID 110032406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).