1-(cyclobutylmethyl)-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine

C17H33N5O — CID 122098998

IUPAC1-(cyclobutylmethyl)-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine
SMILESCN1CCC(C/N=C(\N)NCC2CCC2)(N2CCOCC2)CC1
InChIInChI=1S/C17H33N5O/c1-21-7-5-17(6-8-21,22-9-11-23-12-10-22)14-20-16(18)19-13-15-3-2-4-15/h15H,2-14H2,1H3,(H3,18,19,20)
InChIKeyODUUAWJWNGZPET-UHFFFAOYSA-N
MW323.49 g/mol
LogP0.49
Rot. Bonds5

About 1-(cyclobutylmethyl)-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine

1-(cyclobutylmethyl)-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine (PubChem CID 122098998) has the molecular formula C17H33N5O and a molecular weight of 323.49 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine
PubChem CID122098998
Molecular FormulaC17H33N5O
Molecular Weight323.49 g/mol
Exact Mass323.27
IUPAC Name1-(cyclobutylmethyl)-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine
SMILESCN1CCC(C/N=C(\N)NCC2CCC2)(N2CCOCC2)CC1
InChIInChI=1S/C17H33N5O/c1-21-7-5-17(6-8-21,22-9-11-23-12-10-22)14-20-16(18)19-13-15-3-2-4-15/h15H,2-14H2,1H3,(H3,18,19,20)
InChIKeyODUUAWJWNGZPET-UHFFFAOYSA-N
XLogP0.49
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 50.49
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-cycloheptyl-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine
CID 122098991
1-(cyclobutylmethyl)-2-[(4-methyloxan-4-yl)methyl]guanidine;hydroiodide
CID 119152239
1-(cyclobutylmethyl)-2-[(3-methyloxolan-3-yl)methyl]guanidine
CID 119147546
2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111821064
1-cyclobutyl-2-[(1-morpholin-4-ylcyclopropyl)methyl]guanidine
CID 122095628
2-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylguanidine
CID 111027624
1-(cyclobutylmethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111028558
2-(cyclobutylmethyl)-1-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111086790
1-(cyclobutylmethyl)-2-[(1-methoxycyclobutyl)methyl]guanidine;hydroiodide
CID 110017961
1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111802070
1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111802069
1-cyclopentyl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide
CID 119146934

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine?
The IUPAC name of 1-(cyclobutylmethyl)-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine (CID 122098998) is 1-(cyclobutylmethyl)-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine is CN1CCC(C/N=C(\N)NCC2CCC2)(N2CCOCC2)CC1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine?
The InChIKey is ODUUAWJWNGZPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N5O/c1-21-7-5-17(6-8-21,22-9-11-23-12-10-22)14-20-16(18)19-13-15-3-2-4-15/h15H,2-14H2,1H3,(H3,18,19,20).
What are the key properties of 1-(cyclobutylmethyl)-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine?
1-(cyclobutylmethyl)-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine has a molecular weight of 323.49 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine is sourced from PubChem (CID 122098998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).