1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine

C18H31N5O — CID 111317772

IUPAC1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
SMILESCCN/C(=N\Cc1cccc(OC)n1)NC1CCN(C(C)C)CC1
InChIInChI=1S/C18H31N5O/c1-5-19-18(20-13-16-7-6-8-17(21-16)24-4)22-15-9-11-23(12-10-15)14(2)3/h6-8,14-15H,5,9-13H2,1-4H3,(H2,19,20,22)
InChIKeyVYOFALKGICLNNK-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.02
Rot. Bonds6

About 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine

1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine (PubChem CID 111317772) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
PubChem CID111317772
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
SMILESCCN/C(=N\Cc1cccc(OC)n1)NC1CCN(C(C)C)CC1
InChIInChI=1S/C18H31N5O/c1-5-19-18(20-13-16-7-6-8-17(21-16)24-4)22-15-9-11-23(12-10-15)14(2)3/h6-8,14-15H,5,9-13H2,1-4H3,(H2,19,20,22)
InChIKeyVYOFALKGICLNNK-UHFFFAOYSA-N
XLogP2.02
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.02
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-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111529456
1-butan-2-yl-3-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
CID 110943978
1-ethyl-2-(1,2-oxazol-3-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111964839
1-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111316742
1-ethyl-2-(naphthalen-1-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111319023
1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-[(2,4,6-trimethoxyphenyl)methyl]guanidine
CID 111319344
1-ethyl-2-(naphthalen-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111316730
1-ethyl-2-[(3-fluorophenyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318039
2-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317157
2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111830380
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111784366
1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111838042

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine?
The IUPAC name of 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine (CID 111317772) is 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine?
The canonical SMILES for 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine is CCN/C(=N\Cc1cccc(OC)n1)NC1CCN(C(C)C)CC1.
What is the InChIKey of 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine?
The InChIKey is VYOFALKGICLNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-5-19-18(20-13-16-7-6-8-17(21-16)24-4)22-15-9-11-23(12-10-15)14(2)3/h6-8,14-15H,5,9-13H2,1-4H3,(H2,19,20,22).
What are the key properties of 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine?
1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine has a molecular weight of 333.48 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine is sourced from PubChem (CID 111317772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).