N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide

C19H30N4O — CID 111047450

IUPACN'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
SMILESCC1CCCN(Cc2ccccc2C/N=C(\N)N2CCOCC2)C1
InChIInChI=1S/C19H30N4O/c1-16-5-4-8-22(14-16)15-18-7-3-2-6-17(18)13-21-19(20)23-9-11-24-12-10-23/h2-3,6-7,16H,4-5,8-15H2,1H3,(H2,20,21)
InChIKeyXWZLTCKJWACDNK-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.07
Rot. Bonds4

About N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide

N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide (PubChem CID 111047450) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
PubChem CID111047450
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
SMILESCC1CCCN(Cc2ccccc2C/N=C(\N)N2CCOCC2)C1
InChIInChI=1S/C19H30N4O/c1-16-5-4-8-22(14-16)15-18-7-3-2-6-17(18)13-21-19(20)23-9-11-24-12-10-23/h2-3,6-7,16H,4-5,8-15H2,1H3,(H2,20,21)
InChIKeyXWZLTCKJWACDNK-UHFFFAOYSA-N
XLogP2.07
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.07
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

N'-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111802643
N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111053491
N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
CID 111053453
3-methyl-N'-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111063224
N-ethyl-N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726141
N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077296
N'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077954
N'-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
CID 110028826
N'-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 110028825
3-methyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111038144
N'-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide
CID 111056830
N'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111036311

Frequently Asked Questions

What is the IUPAC name of N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide (CID 111047450) is N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide is CC1CCCN(Cc2ccccc2C/N=C(\N)N2CCOCC2)C1.
What is the InChIKey of N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide?
The InChIKey is XWZLTCKJWACDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-16-5-4-8-22(14-16)15-18-7-3-2-6-17(18)13-21-19(20)23-9-11-24-12-10-23/h2-3,6-7,16H,4-5,8-15H2,1H3,(H2,20,21).
What are the key properties of N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide?
N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide has a molecular weight of 330.48 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111047450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).