[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone

C17H22F2N2O2 — CID 165435209

IUPAC[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(Cc2ccc(F)c(F)c2)CC1)N1CCOCC1
InChIInChI=1S/C17H22F2N2O2/c18-15-2-1-13(11-16(15)19)12-20-5-3-14(4-6-20)17(22)21-7-9-23-10-8-21/h1-2,11,14H,3-10,12H2
InChIKeyBOFSVXFTDHYZIO-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.04
Rot. Bonds3

About [1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone

[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 165435209) has the molecular formula C17H22F2N2O2 and a molecular weight of 324.37 g/mol. Its IUPAC name is [1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID165435209
Molecular FormulaC17H22F2N2O2
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Name[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(Cc2ccc(F)c(F)c2)CC1)N1CCOCC1
InChIInChI=1S/C17H22F2N2O2/c18-15-2-1-13(11-16(15)19)12-20-5-3-14(4-6-20)17(22)21-7-9-23-10-8-21/h1-2,11,14H,3-10,12H2
InChIKeyBOFSVXFTDHYZIO-UHFFFAOYSA-N
XLogP2.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 4535496
[4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 155981397
[1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 25249252
[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165433030
4-[[4-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
CID 4531486
[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 883926
[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165432911
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide
CID 60543938
methyl 1-[(3,4-difluorophenyl)methyl]piperidine-4-carboxylate
CID 78912325
[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-phenylmethanone
CID 134116002
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 45014849
[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 883912

Frequently Asked Questions

What is the IUPAC name of [1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 165435209) is [1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone is O=C(C1CCN(Cc2ccc(F)c(F)c2)CC1)N1CCOCC1.
What is the InChIKey of [1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is BOFSVXFTDHYZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O2/c18-15-2-1-13(11-16(15)19)12-20-5-3-14(4-6-20)17(22)21-7-9-23-10-8-21/h1-2,11,14H,3-10,12H2.
What are the key properties of [1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 324.37 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 165435209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).