1-(4-aminopiperidin-1-yl)-3-(2,5-difluorophenyl)propan-1-one

C14H18F2N2O — CID 119375776

IUPAC1-(4-aminopiperidin-1-yl)-3-(2,5-difluorophenyl)propan-1-one
SMILESNC1CCN(C(=O)CCc2cc(F)ccc2F)CC1
InChIInChI=1S/C14H18F2N2O/c15-11-2-3-13(16)10(9-11)1-4-14(19)18-7-5-12(17)6-8-18/h2-3,9,12H,1,4-8,17H2
InChIKeyBNIRQIZRYXCSRK-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.85
Rot. Bonds3

About 1-(4-aminopiperidin-1-yl)-3-(2,5-difluorophenyl)propan-1-one

1-(4-aminopiperidin-1-yl)-3-(2,5-difluorophenyl)propan-1-one (PubChem CID 119375776) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-3-(2,5-difluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-3-(2,5-difluorophenyl)propan-1-one
PubChem CID119375776
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-(4-aminopiperidin-1-yl)-3-(2,5-difluorophenyl)propan-1-one
SMILESNC1CCN(C(=O)CCc2cc(F)ccc2F)CC1
InChIInChI=1S/C14H18F2N2O/c15-11-2-3-13(16)10(9-11)1-4-14(19)18-7-5-12(17)6-8-18/h2-3,9,12H,1,4-8,17H2
InChIKeyBNIRQIZRYXCSRK-UHFFFAOYSA-N
XLogP1.85
TPSA46.33 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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-difluorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119647221
3-(2,5-difluorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95759252
1-[(3S)-3-(difluoromethoxy)pyrrolidin-1-yl]-3-(2,5-difluorophenyl)propan-1-one
CID 167815653
(3S)-1-[3-(2,5-difluorophenyl)propanoyl]piperidine-3-carboxylic acid
CID 119173536
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2,5-difluorophenyl)propan-1-one
CID 119633596
1-[2-(2,5-difluorophenyl)acetyl]piperidine-4-carboxamide
CID 119138730
1-(4-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119373451
(3S,4S)-1-[3-(2,5-difluorophenyl)propanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952585
1-[3-(2-bromo-5-fluorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 120512240
1-(4-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one;hydrochloride
CID 119373450
(3R,4R)-4-cyclopropyl-1-[3-(2,5-difluorophenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 120978106
1-cyclopropyl-3-(2,5-difluorophenyl)propan-1-one
CID 63351882

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-3-(2,5-difluorophenyl)propan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-3-(2,5-difluorophenyl)propan-1-one (CID 119375776) is 1-(4-aminopiperidin-1-yl)-3-(2,5-difluorophenyl)propan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-3-(2,5-difluorophenyl)propan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-3-(2,5-difluorophenyl)propan-1-one is NC1CCN(C(=O)CCc2cc(F)ccc2F)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-3-(2,5-difluorophenyl)propan-1-one?
The InChIKey is BNIRQIZRYXCSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c15-11-2-3-13(16)10(9-11)1-4-14(19)18-7-5-12(17)6-8-18/h2-3,9,12H,1,4-8,17H2.
What are the key properties of 1-(4-aminopiperidin-1-yl)-3-(2,5-difluorophenyl)propan-1-one?
1-(4-aminopiperidin-1-yl)-3-(2,5-difluorophenyl)propan-1-one has a molecular weight of 268.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-3-(2,5-difluorophenyl)propan-1-one is sourced from PubChem (CID 119375776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).