N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiomorpholine-4-carboximidamide

C19H30N4OS — CID 111027734

IUPACN'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiomorpholine-4-carboximidamide
SMILESCOc1ccc(C(C/N=C(\N)N2CCSCC2)N2CCCCC2)cc1
InChIInChI=1S/C19H30N4OS/c1-24-17-7-5-16(6-8-17)18(22-9-3-2-4-10-22)15-21-19(20)23-11-13-25-14-12-23/h5-8,18H,2-4,9-15H2,1H3,(H2,20,21)
InChIKeyRWSACFLYRXOYIV-UHFFFAOYSA-N
MW362.54 g/mol
LogP2.59
Rot. Bonds5

About N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiomorpholine-4-carboximidamide

N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiomorpholine-4-carboximidamide (PubChem CID 111027734) has the molecular formula C19H30N4OS and a molecular weight of 362.54 g/mol. Its IUPAC name is N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiomorpholine-4-carboximidamide
PubChem CID111027734
Molecular FormulaC19H30N4OS
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC NameN'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiomorpholine-4-carboximidamide
SMILESCOc1ccc(C(C/N=C(\N)N2CCSCC2)N2CCCCC2)cc1
InChIInChI=1S/C19H30N4OS/c1-24-17-7-5-16(6-8-17)18(22-9-3-2-4-10-22)15-21-19(20)23-11-13-25-14-12-23/h5-8,18H,2-4,9-15H2,1H3,(H2,20,21)
InChIKeyRWSACFLYRXOYIV-UHFFFAOYSA-N
XLogP2.59
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 52.59
H-Bond Donors ≤ 51
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

N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111027743
N'-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111027183
N'-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111027333
N'-[3-(4-methoxyphenyl)butyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111818403
1-[2-(4-methoxyphenyl)ethyl]-2-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine
CID 52500269
1-tert-butyl-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111027151
1,3-diethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine;hydroiodide
CID 110909141
1-cyclopropyl-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylguanidine;hydroiodide
CID 110029451
N'-(2-methoxy-2-phenylethyl)thiomorpholine-4-carboximidamide
CID 111043624
N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111027825
1-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111027173
1-[2-chloro-1-(4-methoxyphenyl)ethyl]piperidine
CID 82088353

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiomorpholine-4-carboximidamide (CID 111027734) is N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiomorpholine-4-carboximidamide is COc1ccc(C(C/N=C(\N)N2CCSCC2)N2CCCCC2)cc1.
What is the InChIKey of N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiomorpholine-4-carboximidamide?
The InChIKey is RWSACFLYRXOYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4OS/c1-24-17-7-5-16(6-8-17)18(22-9-3-2-4-10-22)15-21-19(20)23-11-13-25-14-12-23/h5-8,18H,2-4,9-15H2,1H3,(H2,20,21).
What are the key properties of N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiomorpholine-4-carboximidamide?
N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiomorpholine-4-carboximidamide has a molecular weight of 362.54 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111027734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).