N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpiperidine-1-carboximidamide

C16H32N4O — CID 111109646

IUPACN'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpiperidine-1-carboximidamide
SMILESCOCCN1CCC(C/N=C(\N)N2CCC(C)CC2)CC1
InChIInChI=1S/C16H32N4O/c1-14-3-9-20(10-4-14)16(17)18-13-15-5-7-19(8-6-15)11-12-21-2/h14-15H,3-13H2,1-2H3,(H2,17,18)
InChIKeyTXNBVPLVFASGCE-UHFFFAOYSA-N
MW296.46 g/mol
LogP1.39
Rot. Bonds5

About N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpiperidine-1-carboximidamide

N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 111109646) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpiperidine-1-carboximidamide
PubChem CID111109646
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC NameN'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpiperidine-1-carboximidamide
SMILESCOCCN1CCC(C/N=C(\N)N2CCC(C)CC2)CC1
InChIInChI=1S/C16H32N4O/c1-14-3-9-20(10-4-14)16(17)18-13-15-5-7-19(8-6-15)11-12-21-2/h14-15H,3-13H2,1-2H3,(H2,17,18)
InChIKeyTXNBVPLVFASGCE-UHFFFAOYSA-N
XLogP1.39
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-(4-fluorophenyl)-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111803667
1-(2-methoxyethyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 167091343
N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide
CID 110920452
4-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide
CID 110921095
1-(2-methoxyethyl)-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine
CID 51131494
4-methyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 110920130
N'-(2-butoxyethyl)-4-methylpiperidine-1-carboximidamide
CID 110920377
4-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide
CID 111752905
1-(2,6-diethylphenyl)-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]guanidine
CID 111803616
1-(2-methoxyethyl)piperidin-4-amine;hydrochloride
CID 146675245
4-methyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide
CID 110919195
1-ethyl-2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-propan-2-ylguanidine
CID 111789048

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpiperidine-1-carboximidamide (CID 111109646) is N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpiperidine-1-carboximidamide is COCCN1CCC(C/N=C(\N)N2CCC(C)CC2)CC1.
What is the InChIKey of N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is TXNBVPLVFASGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-14-3-9-20(10-4-14)16(17)18-13-15-5-7-19(8-6-15)11-12-21-2/h14-15H,3-13H2,1-2H3,(H2,17,18).
What are the key properties of N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpiperidine-1-carboximidamide?
N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 296.46 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111109646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).