N'-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidine-1-carboximidamide

C17H27N3O3 — CID 111066663

IUPACN'-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidine-1-carboximidamide
SMILESCOc1cc(C/N=C(\N)N2CCCC(C)C2)ccc1OCCO
InChIInChI=1S/C17H27N3O3/c1-13-4-3-7-20(12-13)17(18)19-11-14-5-6-15(23-9-8-21)16(10-14)22-2/h5-6,10,13,21H,3-4,7-9,11-12H2,1-2H3,(H2,18,19)
InChIKeyUMVNAWOSRITFDH-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.61
Rot. Bonds6

About N'-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidine-1-carboximidamide

N'-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 111066663) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N'-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidine-1-carboximidamide
PubChem CID111066663
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN'-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidine-1-carboximidamide
SMILESCOc1cc(C/N=C(\N)N2CCCC(C)C2)ccc1OCCO
InChIInChI=1S/C17H27N3O3/c1-13-4-3-7-20(12-13)17(18)19-11-14-5-6-15(23-9-8-21)16(10-14)22-2/h5-6,10,13,21H,3-4,7-9,11-12H2,1-2H3,(H2,18,19)
InChIKeyUMVNAWOSRITFDH-UHFFFAOYSA-N
XLogP1.61
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.61
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'}

Analyze N'-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidine-1-carboximidamide 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

N'-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111041610
N-ethyl-N'-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 111209969
N'-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111050818
N-ethyl-N'-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]pyrrolidine-1-carboximidamide
CID 110956244
ethyl 1-[N-ethyl-N'-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110994412
N'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111045706
N'-[(2-hydroxy-3-methoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111099970
N'-[(2,3-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111045848
4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide
CID 111030232
N'-[(5-methoxy-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 120580585
N'-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920623
3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111037394

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidine-1-carboximidamide (CID 111066663) is N'-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidine-1-carboximidamide is COc1cc(C/N=C(\N)N2CCCC(C)C2)ccc1OCCO.
What is the InChIKey of N'-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is UMVNAWOSRITFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-13-4-3-7-20(12-13)17(18)19-11-14-5-6-15(23-9-8-21)16(10-14)22-2/h5-6,10,13,21H,3-4,7-9,11-12H2,1-2H3,(H2,18,19).
What are the key properties of N'-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidine-1-carboximidamide?
N'-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 321.42 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111066663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).