1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine

C19H32N4O — CID 111814516

IUPAC1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine
SMILESCOc1ccc(C2C(CN/C(N)=N/CC(C)C)CCCN2C)cc1
InChIInChI=1S/C19H32N4O/c1-14(2)12-21-19(20)22-13-16-6-5-11-23(3)18(16)15-7-9-17(24-4)10-8-15/h7-10,14,16,18H,5-6,11-13H2,1-4H3,(H3,20,21,22)
InChIKeyLKZPZTFPJHDPLC-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.64
Rot. Bonds6

About 1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine

1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine (PubChem CID 111814516) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine
PubChem CID111814516
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine
SMILESCOc1ccc(C2C(CN/C(N)=N/CC(C)C)CCCN2C)cc1
InChIInChI=1S/C19H32N4O/c1-14(2)12-21-19(20)22-13-16-6-5-11-23(3)18(16)15-7-9-17(24-4)10-8-15/h7-10,14,16,18H,5-6,11-13H2,1-4H3,(H3,20,21,22)
InChIKeyLKZPZTFPJHDPLC-UHFFFAOYSA-N
XLogP2.64
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111814515
1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111794280
2-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-1-prop-2-enylguanidine;hydroiodide
CID 111414872
N-[[(2S,3S)-2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]piperidine-4-carboxamide
CID 124687962
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-methylbutane-1-sulfonamide
CID 86959910
2-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 86955004
2-(3-acetylphenoxy)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide
CID 86954979
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 86954954
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-4-methylsulfinylbenzamide
CID 86958503
1-[(3-methoxyphenyl)methyl]-3-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-methylguanidine;hydroiodide
CID 111794635
2-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-1,1,3,3-tetramethylguanidine
CID 111814540
2-(cyclobutylmethyl)-1-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]guanidine
CID 111815130

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine (CID 111814516) is 1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine is COc1ccc(C2C(CN/C(N)=N/CC(C)C)CCCN2C)cc1.
What is the InChIKey of 1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine?
The InChIKey is LKZPZTFPJHDPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-14(2)12-21-19(20)22-13-16-6-5-11-23(3)18(16)15-7-9-17(24-4)10-8-15/h7-10,14,16,18H,5-6,11-13H2,1-4H3,(H3,20,21,22).
What are the key properties of 1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine?
1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine has a molecular weight of 332.49 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 111814516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).