N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine

C21H34FN3O — CID 45238596

IUPACN-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine
SMILESCC(C)(CNC1CCCN(Cc2ccccc2F)C1)CN1CCOCC1
InChIInChI=1S/C21H34FN3O/c1-21(2,17-24-10-12-26-13-11-24)16-23-19-7-5-9-25(15-19)14-18-6-3-4-8-20(18)22/h3-4,6,8,19,23H,5,7,9-17H2,1-2H3
InChIKeyZIIYOMYIZIDFMO-UHFFFAOYSA-N
MW363.52 g/mol
LogP2.74
Rot. Bonds7

About N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine

N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine (PubChem CID 45238596) has the molecular formula C21H34FN3O and a molecular weight of 363.52 g/mol. Its IUPAC name is N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine
PubChem CID45238596
Molecular FormulaC21H34FN3O
Molecular Weight363.52 g/mol
Exact Mass363.27
IUPAC NameN-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine
SMILESCC(C)(CNC1CCCN(Cc2ccccc2F)C1)CN1CCOCC1
InChIInChI=1S/C21H34FN3O/c1-21(2,17-24-10-12-26-13-11-24)16-23-19-7-5-9-25(15-19)14-18-6-3-4-8-20(18)22/h3-4,6,8,19,23H,5,7,9-17H2,1-2H3
InChIKeyZIIYOMYIZIDFMO-UHFFFAOYSA-N
XLogP2.74
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.52
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine?
The IUPAC name of N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine (CID 45238596) is N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine.
What is the SMILES notation for N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine?
The canonical SMILES for N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine is CC(C)(CNC1CCCN(Cc2ccccc2F)C1)CN1CCOCC1.
What is the InChIKey of N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine?
The InChIKey is ZIIYOMYIZIDFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34FN3O/c1-21(2,17-24-10-12-26-13-11-24)16-23-19-7-5-9-25(15-19)14-18-6-3-4-8-20(18)22/h3-4,6,8,19,23H,5,7,9-17H2,1-2H3.
What are the key properties of N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine?
N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine has a molecular weight of 363.52 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 45238596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).