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

C19H37N5O — CID 122098991

IUPAC1-cycloheptyl-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine
SMILESCN1CCC(C/N=C(\N)NC2CCCCCC2)(N2CCOCC2)CC1
InChIInChI=1S/C19H37N5O/c1-23-10-8-19(9-11-23,24-12-14-25-15-13-24)16-21-18(20)22-17-6-4-2-3-5-7-17/h17H,2-16H2,1H3,(H3,20,21,22)
InChIKeyXPRQGGBPCPTOPO-UHFFFAOYSA-N
MW351.54 g/mol
LogP1.41
Rot. Bonds4

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

1-cycloheptyl-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine (PubChem CID 122098991) has the molecular formula C19H37N5O and a molecular weight of 351.54 g/mol. Its IUPAC name is 1-cycloheptyl-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cycloheptyl-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine
PubChem CID122098991
Molecular FormulaC19H37N5O
Molecular Weight351.54 g/mol
Exact Mass351.30
IUPAC Name1-cycloheptyl-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine
SMILESCN1CCC(C/N=C(\N)NC2CCCCCC2)(N2CCOCC2)CC1
InChIInChI=1S/C19H37N5O/c1-23-10-8-19(9-11-23,24-12-14-25-15-13-24)16-21-18(20)22-17-6-4-2-3-5-7-17/h17H,2-16H2,1H3,(H3,20,21,22)
InChIKeyXPRQGGBPCPTOPO-UHFFFAOYSA-N
XLogP1.41
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 51.41
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-cyclobutyl-2-[(1-morpholin-4-ylcyclopropyl)methyl]guanidine
CID 122095628
1-cyclopentyl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide
CID 119146934
1-(cyclobutylmethyl)-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine
CID 122098998
ethyl 4-[[N'-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111821073
2-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111821064
1-cyclopentyl-2-[(3-methyloxolan-3-yl)methyl]guanidine;hydroiodide
CID 119147527
2-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylguanidine
CID 111027624
1-cyclohexyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111055183
1-cyclohexyl-2-[(3-methyloxetan-3-yl)methyl]guanidine
CID 111810434
1-cyclohexyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111059840
2-methyl-1-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-3-(oxan-4-yl)guanidine;hydroiodide
CID 119152536
1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine
CID 120973749

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine?
The IUPAC name of 1-cycloheptyl-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine (CID 122098991) is 1-cycloheptyl-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine.
What is the SMILES notation for 1-cycloheptyl-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine?
The canonical SMILES for 1-cycloheptyl-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine is CN1CCC(C/N=C(\N)NC2CCCCCC2)(N2CCOCC2)CC1.
What is the InChIKey of 1-cycloheptyl-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine?
The InChIKey is XPRQGGBPCPTOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5O/c1-23-10-8-19(9-11-23,24-12-14-25-15-13-24)16-21-18(20)22-17-6-4-2-3-5-7-17/h17H,2-16H2,1H3,(H3,20,21,22).
What are the key properties of 1-cycloheptyl-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine?
1-cycloheptyl-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine has a molecular weight of 351.54 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine is sourced from PubChem (CID 122098991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).