1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone

C14H18F2N2O — CID 43745932

IUPAC1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2cc(F)ccc2F)CC1
InChIInChI=1S/C14H18F2N2O/c1-10(19)18-6-4-13(5-7-18)17-9-11-8-12(15)2-3-14(11)16/h2-3,8,13,17H,4-7,9H2,1H3
InChIKeyZTOAPWPBADPHCQ-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.07
Rot. Bonds3

About 1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone

1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone (PubChem CID 43745932) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone
PubChem CID43745932
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2cc(F)ccc2F)CC1
InChIInChI=1S/C14H18F2N2O/c1-10(19)18-6-4-13(5-7-18)17-9-11-8-12(15)2-3-14(11)16/h2-3,8,13,17H,4-7,9H2,1H3
InChIKeyZTOAPWPBADPHCQ-UHFFFAOYSA-N
XLogP2.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone
CID 103943635
1-[4-[(4-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224288
[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]-(furan-2-yl)methanone
CID 56814831
1-[4-[(5-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 115761707
1-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 103948101
4-[(2-bromo-5-fluorophenyl)methylamino]piperidine-1-carboxamide
CID 54902697
N-[(2,5-difluorophenyl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 55225914
N-[(2,5-difluorophenyl)methyl]-1-prop-2-ynylpiperidin-4-amine
CID 55236856
N-[(2,5-difluorophenyl)methyl]-1,1-dioxothian-4-amine
CID 43614880
1-[4-[(2,3-dichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224238
1-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 103792409
CID 140622429
CID 140622429

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone (CID 43745932) is 1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NCc2cc(F)ccc2F)CC1.
What is the InChIKey of 1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone?
The InChIKey is ZTOAPWPBADPHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-10(19)18-6-4-13(5-7-18)17-9-11-8-12(15)2-3-14(11)16/h2-3,8,13,17H,4-7,9H2,1H3.
What are the key properties of 1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone?
1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone has a molecular weight of 268.31 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43745932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).