N'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboximidamide

C20H32N4O — CID 10807433

IUPACN'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboximidamide
SMILESCOc1ccccc1N1CCN(CC/N=C(\N)C2CCCCC2)CC1
InChIInChI=1S/C20H32N4O/c1-25-19-10-6-5-9-18(19)24-15-13-23(14-16-24)12-11-22-20(21)17-7-3-2-4-8-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3,(H2,21,22)
InChIKeyRTZMZOSPFYMPPG-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.75
Rot. Bonds6

About N'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboximidamide

N'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboximidamide (PubChem CID 10807433) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is N'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboximidamide.

Molecular Properties

Compound NameN'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboximidamide
PubChem CID10807433
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC NameN'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboximidamide
SMILESCOc1ccccc1N1CCN(CC/N=C(\N)C2CCCCC2)CC1
InChIInChI=1S/C20H32N4O/c1-25-19-10-6-5-9-18(19)24-15-13-23(14-16-24)12-11-22-20(21)17-7-3-2-4-8-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3,(H2,21,22)
InChIKeyRTZMZOSPFYMPPG-UHFFFAOYSA-N
XLogP2.75
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.75
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboximidamide?
The IUPAC name of N'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboximidamide (CID 10807433) is N'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboximidamide.
What is the SMILES notation for N'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboximidamide?
The canonical SMILES for N'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboximidamide is COc1ccccc1N1CCN(CC/N=C(\N)C2CCCCC2)CC1.
What is the InChIKey of N'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboximidamide?
The InChIKey is RTZMZOSPFYMPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-25-19-10-6-5-9-18(19)24-15-13-23(14-16-24)12-11-22-20(21)17-7-3-2-4-8-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3,(H2,21,22).
What are the key properties of N'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboximidamide?
N'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboximidamide has a molecular weight of 344.50 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboximidamide is sourced from PubChem (CID 10807433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).