N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide

C19H29FN4O — CID 110919457

IUPACN'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CC(c2ccc(F)cc2)N2CCOCC2)CC1
InChIInChI=1S/C19H29FN4O/c1-15-6-8-24(9-7-15)19(21)22-14-18(23-10-12-25-13-11-23)16-2-4-17(20)5-3-16/h2-5,15,18H,6-14H2,1H3,(H2,21,22)
InChIKeyQCAVLISHHBGDDJ-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.25
Rot. Bonds4

About N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide

N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 110919457) has the molecular formula C19H29FN4O and a molecular weight of 348.47 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide
PubChem CID110919457
Molecular FormulaC19H29FN4O
Molecular Weight348.47 g/mol
Exact Mass348.23
IUPAC NameN'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CC(c2ccc(F)cc2)N2CCOCC2)CC1
InChIInChI=1S/C19H29FN4O/c1-15-6-8-24(9-7-15)19(21)22-14-18(23-10-12-25-13-11-23)16-2-4-17(20)5-3-16/h2-5,15,18H,6-14H2,1H3,(H2,21,22)
InChIKeyQCAVLISHHBGDDJ-UHFFFAOYSA-N
XLogP2.25
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.25
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide (CID 110919457) is N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide is CC1CCN(/C(N)=N/CC(c2ccc(F)cc2)N2CCOCC2)CC1.
What is the InChIKey of N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is QCAVLISHHBGDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4O/c1-15-6-8-24(9-7-15)19(21)22-14-18(23-10-12-25-13-11-23)16-2-4-17(20)5-3-16/h2-5,15,18H,6-14H2,1H3,(H2,21,22).
What are the key properties of N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide?
N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 348.47 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 110919457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).