4-[4,5-difluoro-2-(piperidin-3-ylmethyl)phenyl]morpholine

C16H22F2N2O — CID 117118029

IUPAC4-[4,5-difluoro-2-(piperidin-3-ylmethyl)phenyl]morpholine
SMILESFc1cc(CC2CCCNC2)c(N2CCOCC2)cc1F
InChIInChI=1S/C16H22F2N2O/c17-14-9-13(8-12-2-1-3-19-11-12)16(10-15(14)18)20-4-6-21-7-5-20/h9-10,12,19H,1-8,11H2
InChIKeyIWGPCGNNKIBCAQ-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.34
Rot. Bonds3

About 4-[4,5-difluoro-2-(piperidin-3-ylmethyl)phenyl]morpholine

4-[4,5-difluoro-2-(piperidin-3-ylmethyl)phenyl]morpholine (PubChem CID 117118029) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 4-[4,5-difluoro-2-(piperidin-3-ylmethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4,5-difluoro-2-(piperidin-3-ylmethyl)phenyl]morpholine
PubChem CID117118029
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name4-[4,5-difluoro-2-(piperidin-3-ylmethyl)phenyl]morpholine
SMILESFc1cc(CC2CCCNC2)c(N2CCOCC2)cc1F
InChIInChI=1S/C16H22F2N2O/c17-14-9-13(8-12-2-1-3-19-11-12)16(10-15(14)18)20-4-6-21-7-5-20/h9-10,12,19H,1-8,11H2
InChIKeyIWGPCGNNKIBCAQ-UHFFFAOYSA-N
XLogP2.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-fluoro-4-(piperidin-3-ylmethyl)phenyl]morpholine
CID 117446569
4-[4,5-difluoro-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine
CID 117118279
2,3,6-trifluoro-4-(piperidin-3-ylmethyl)benzoic acid
CID 117435356
1-[4-methoxy-2-(piperidin-3-ylmethyl)phenyl]piperidine
CID 117466204
3-[(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
CID 117385746
2,4-difluoro-6-(piperidin-3-ylmethyl)phenol
CID 84791352
3-[(2-bromo-3,4-difluorophenyl)methyl]piperidine
CID 84814784
3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine
CID 84802944
3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine
CID 84788111
3-[(3-fluoro-2-methoxy-5-methylphenyl)methyl]piperidine
CID 84798655
2-fluoro-N,N-dimethyl-6-(piperidin-3-ylmethyl)aniline
CID 117118019
3-[(7-fluoro-1,3-benzodioxol-5-yl)methyl]piperidine
CID 117346793

Frequently Asked Questions

What is the IUPAC name of 4-[4,5-difluoro-2-(piperidin-3-ylmethyl)phenyl]morpholine?
The IUPAC name of 4-[4,5-difluoro-2-(piperidin-3-ylmethyl)phenyl]morpholine (CID 117118029) is 4-[4,5-difluoro-2-(piperidin-3-ylmethyl)phenyl]morpholine.
What is the SMILES notation for 4-[4,5-difluoro-2-(piperidin-3-ylmethyl)phenyl]morpholine?
The canonical SMILES for 4-[4,5-difluoro-2-(piperidin-3-ylmethyl)phenyl]morpholine is Fc1cc(CC2CCCNC2)c(N2CCOCC2)cc1F.
What is the InChIKey of 4-[4,5-difluoro-2-(piperidin-3-ylmethyl)phenyl]morpholine?
The InChIKey is IWGPCGNNKIBCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c17-14-9-13(8-12-2-1-3-19-11-12)16(10-15(14)18)20-4-6-21-7-5-20/h9-10,12,19H,1-8,11H2.
What are the key properties of 4-[4,5-difluoro-2-(piperidin-3-ylmethyl)phenyl]morpholine?
4-[4,5-difluoro-2-(piperidin-3-ylmethyl)phenyl]morpholine has a molecular weight of 296.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-difluoro-2-(piperidin-3-ylmethyl)phenyl]morpholine is sourced from PubChem (CID 117118029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).