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

C16H27N5 — CID 111048732

IUPAC2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/Cc1ccc(N2CCC(C)CC2)nc1
InChIInChI=1S/C16H27N5/c1-3-8-18-16(17)20-12-14-4-5-15(19-11-14)21-9-6-13(2)7-10-21/h4-5,11,13H,3,6-10,12H2,1-2H3,(H3,17,18,20)
InChIKeyGIUQGJPOFRUBFD-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.13
Rot. Bonds5

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

2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1-propylguanidine (PubChem CID 111048732) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1-propylguanidine.

Molecular Properties

Compound Name2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1-propylguanidine
PubChem CID111048732
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/Cc1ccc(N2CCC(C)CC2)nc1
InChIInChI=1S/C16H27N5/c1-3-8-18-16(17)20-12-14-4-5-15(19-11-14)21-9-6-13(2)7-10-21/h4-5,11,13H,3,6-10,12H2,1-2H3,(H3,17,18,20)
InChIKeyGIUQGJPOFRUBFD-UHFFFAOYSA-N
XLogP2.13
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.13
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-hexyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine
CID 111048746
1-(cyclobutylmethyl)-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111048779
2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide
CID 111049111
1-(4-methylphenyl)-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine
CID 111048752
1-(3,4-dimethylphenyl)-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine
CID 111048742
1-cyclopentyl-3-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine
CID 110989623
1-(cyclopropylmethyl)-3-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111869931
2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111048778
2-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-octylguanidine
CID 111049276
1-(2,3-dihydro-1H-inden-5-yl)-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111048775
1-ethyl-3-(3-methylbutan-2-yl)-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111000296
1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(4-methylsulfanylbutyl)guanidine
CID 111629276

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1-propylguanidine?
The IUPAC name of 2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1-propylguanidine (CID 111048732) is 2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1-propylguanidine.
What is the SMILES notation for 2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1-propylguanidine?
The canonical SMILES for 2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1-propylguanidine is CCCN/C(N)=N/Cc1ccc(N2CCC(C)CC2)nc1.
What is the InChIKey of 2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1-propylguanidine?
The InChIKey is GIUQGJPOFRUBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-3-8-18-16(17)20-12-14-4-5-15(19-11-14)21-9-6-13(2)7-10-21/h4-5,11,13H,3,6-10,12H2,1-2H3,(H3,17,18,20).
What are the key properties of 2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1-propylguanidine?
2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1-propylguanidine has a molecular weight of 289.43 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1-propylguanidine is sourced from PubChem (CID 111048732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).