1-hexyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine

C19H33N5 — CID 111048746

IUPAC1-hexyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine
SMILESCCCCCCN/C(N)=N/Cc1ccc(N2CCC(C)CC2)nc1
InChIInChI=1S/C19H33N5/c1-3-4-5-6-11-21-19(20)23-15-17-7-8-18(22-14-17)24-12-9-16(2)10-13-24/h7-8,14,16H,3-6,9-13,15H2,1-2H3,(H3,20,21,23)
InChIKeyLDOOWYQJXFBGSK-UHFFFAOYSA-N
MW331.51 g/mol
LogP3.30
Rot. Bonds8

About 1-hexyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine

1-hexyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine (PubChem CID 111048746) has the molecular formula C19H33N5 and a molecular weight of 331.51 g/mol. Its IUPAC name is 1-hexyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine.

Molecular Properties

Compound Name1-hexyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine
PubChem CID111048746
Molecular FormulaC19H33N5
Molecular Weight331.51 g/mol
Exact Mass331.27
IUPAC Name1-hexyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine
SMILESCCCCCCN/C(N)=N/Cc1ccc(N2CCC(C)CC2)nc1
InChIInChI=1S/C19H33N5/c1-3-4-5-6-11-21-19(20)23-15-17-7-8-18(22-14-17)24-12-9-16(2)10-13-24/h7-8,14,16H,3-6,9-13,15H2,1-2H3,(H3,20,21,23)
InChIKeyLDOOWYQJXFBGSK-UHFFFAOYSA-N
XLogP3.30
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1-propylguanidine
CID 111048732
2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-octylguanidine
CID 111049276
1-(cyclobutylmethyl)-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111048779
1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(4-methylsulfanylbutyl)guanidine
CID 111629276
1-(4-methylphenyl)-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine
CID 111048752
2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide
CID 111049111
1-(3,4-dimethylphenyl)-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine
CID 111048742
1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111629275
2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-hexylguanidine;hydroiodide
CID 111053216
2-[(6-methoxy-3-pyridinyl)methyl]-1-octylguanidine
CID 111038712
1-ethyl-3-(3-methylbutan-2-yl)-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111000296
2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-ethyl-3-hexylguanidine
CID 111161765

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine?
The IUPAC name of 1-hexyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine (CID 111048746) is 1-hexyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine.
What is the SMILES notation for 1-hexyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine?
The canonical SMILES for 1-hexyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine is CCCCCCN/C(N)=N/Cc1ccc(N2CCC(C)CC2)nc1.
What is the InChIKey of 1-hexyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine?
The InChIKey is LDOOWYQJXFBGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5/c1-3-4-5-6-11-21-19(20)23-15-17-7-8-18(22-14-17)24-12-9-16(2)10-13-24/h7-8,14,16H,3-6,9-13,15H2,1-2H3,(H3,20,21,23).
What are the key properties of 1-hexyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine?
1-hexyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine has a molecular weight of 331.51 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine is sourced from PubChem (CID 111048746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).