1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methylguanidine

C15H24N4O2 — CID 109387015

IUPAC1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methylguanidine
SMILESC/N=C(\N)NC1CCN(c2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C15H24N4O2/c1-17-15(16)18-11-4-6-19(7-5-11)12-8-13(20-2)10-14(9-12)21-3/h8-11H,4-7H2,1-3H3,(H3,16,17,18)
InChIKeyNAWGXHUZFMOWMN-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.21
Rot. Bonds4

About 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methylguanidine

1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methylguanidine (PubChem CID 109387015) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methylguanidine.

Molecular Properties

Compound Name1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methylguanidine
PubChem CID109387015
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methylguanidine
SMILESC/N=C(\N)NC1CCN(c2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C15H24N4O2/c1-17-15(16)18-11-4-6-19(7-5-11)12-8-13(20-2)10-14(9-12)21-3/h8-11H,4-7H2,1-3H3,(H3,16,17,18)
InChIKeyNAWGXHUZFMOWMN-UHFFFAOYSA-N
XLogP1.21
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.21
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-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-3-(2-methoxyethyl)-2-methylguanidine
CID 109387065
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-[(1-methylcyclopentyl)methyl]guanidine;hydroiodide
CID 109388046
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 109387548
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine
CID 109387207
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 109387206
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-3-[2-[di(propan-2-yl)amino]ethyl]-2-methylguanidine
CID 109387057
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 109388636
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-3-(4-ethoxybutyl)-2-methylguanidine
CID 109388704
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-[(4-methylsulfanylphenyl)methyl]guanidine
CID 109387253
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-ethyl-2-methylguanidine;hydroiodide
CID 111924552
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-3-ethyl-2-propylguanidine;hydroiodide
CID 109387148
1-[2-[cyclopentyl(methyl)amino]ethyl]-3-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methylguanidine;hydroiodide
CID 109387324

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methylguanidine?
The IUPAC name of 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methylguanidine (CID 109387015) is 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methylguanidine.
What is the SMILES notation for 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methylguanidine?
The canonical SMILES for 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methylguanidine is C/N=C(\N)NC1CCN(c2cc(OC)cc(OC)c2)CC1.
What is the InChIKey of 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methylguanidine?
The InChIKey is NAWGXHUZFMOWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-17-15(16)18-11-4-6-19(7-5-11)12-8-13(20-2)10-14(9-12)21-3/h8-11H,4-7H2,1-3H3,(H3,16,17,18).
What are the key properties of 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methylguanidine?
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methylguanidine has a molecular weight of 292.38 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methylguanidine is sourced from PubChem (CID 109387015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).