4-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]morpholine

C17H24F2N2O — CID 51086748

IUPAC4-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]morpholine
SMILESFc1cccc(CN2CCC(CN3CCOCC3)CC2)c1F
InChIInChI=1S/C17H24F2N2O/c18-16-3-1-2-15(17(16)19)13-20-6-4-14(5-7-20)12-21-8-10-22-11-9-21/h1-3,14H,4-13H2
InChIKeyOPKOYAGUGQJOFO-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.51
Rot. Bonds4

About 4-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]morpholine

4-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]morpholine (PubChem CID 51086748) has the molecular formula C17H24F2N2O and a molecular weight of 310.39 g/mol. Its IUPAC name is 4-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]morpholine
PubChem CID51086748
Molecular FormulaC17H24F2N2O
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name4-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]morpholine
SMILESFc1cccc(CN2CCC(CN3CCOCC3)CC2)c1F
InChIInChI=1S/C17H24F2N2O/c18-16-3-1-2-15(17(16)19)13-20-6-4-14(5-7-20)12-21-8-10-22-11-9-21/h1-3,14H,4-13H2
InChIKeyOPKOYAGUGQJOFO-UHFFFAOYSA-N
XLogP2.51
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922702
2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]acetic acid
CID 79606347
4-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]sulfonylmorpholine
CID 39998547
1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 54923675
1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798
4-[(3-bromo-2-fluorophenyl)methyl]morpholine
CID 70699667
N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928256
N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62592212
4,5-dimethyl-2-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]phenol
CID 60526509
4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]morpholine
CID 60503694
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide
CID 60503666
1-[(2,3-difluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 54923818

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]morpholine (CID 51086748) is 4-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]morpholine is Fc1cccc(CN2CCC(CN3CCOCC3)CC2)c1F.
What is the InChIKey of 4-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]morpholine?
The InChIKey is OPKOYAGUGQJOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O/c18-16-3-1-2-15(17(16)19)13-20-6-4-14(5-7-20)12-21-8-10-22-11-9-21/h1-3,14H,4-13H2.
What are the key properties of 4-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]morpholine?
4-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]morpholine has a molecular weight of 310.39 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]morpholine is sourced from PubChem (CID 51086748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).