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

C24H35N5O2 — CID 111371145

IUPAC1-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
SMILESC/N=C(\NCCCN1CCCCC1C)NCc1ccc(Oc2ccc(OC)cc2)nc1
InChIInChI=1S/C24H35N5O2/c1-19-7-4-5-15-29(19)16-6-14-26-24(25-2)28-18-20-8-13-23(27-17-20)31-22-11-9-21(30-3)10-12-22/h8-13,17,19H,4-7,14-16,18H2,1-3H3,(H2,25,26,28)
InChIKeyKLOCRXMLHNENTK-UHFFFAOYSA-N
MW425.58 g/mol
LogP3.81
Rot. Bonds9

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

1-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine (PubChem CID 111371145) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 1-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
PubChem CID111371145
Molecular FormulaC24H35N5O2
Molecular Weight425.58 g/mol
Exact Mass425.28
IUPAC Name1-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
SMILESC/N=C(\NCCCN1CCCCC1C)NCc1ccc(Oc2ccc(OC)cc2)nc1
InChIInChI=1S/C24H35N5O2/c1-19-7-4-5-15-29(19)16-6-14-26-24(25-2)28-18-20-8-13-23(27-17-20)31-22-11-9-21(30-3)10-12-22/h8-13,17,19H,4-7,14-16,18H2,1-3H3,(H2,25,26,28)
InChIKeyKLOCRXMLHNENTK-UHFFFAOYSA-N
XLogP3.81
TPSA71.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111370947
2-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]-3-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111839189
1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111371211
1-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111370059
1-(3-butoxypropyl)-3-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111238669
1-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]-2-methyl-3-propylguanidine
CID 111225203
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111171361
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111249000
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111200340
1-(2-methoxyethyl)-3-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 110939349
2-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine
CID 111839225
1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111371043

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
The IUPAC name of 1-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine (CID 111371145) is 1-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
The canonical SMILES for 1-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine is C/N=C(\NCCCN1CCCCC1C)NCc1ccc(Oc2ccc(OC)cc2)nc1.
What is the InChIKey of 1-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
The InChIKey is KLOCRXMLHNENTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2/c1-19-7-4-5-15-29(19)16-6-14-26-24(25-2)28-18-20-8-13-23(27-17-20)31-22-11-9-21(30-3)10-12-22/h8-13,17,19H,4-7,14-16,18H2,1-3H3,(H2,25,26,28).
What are the key properties of 1-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
1-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine has a molecular weight of 425.58 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine is sourced from PubChem (CID 111371145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).