[(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone

C12H14F2N2O — CID 102978457

IUPAC[(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone
SMILESN[C@@H]1CCCN(C(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C12H14F2N2O/c13-9-4-1-5-10(14)11(9)12(17)16-6-2-3-8(15)7-16/h1,4-5,8H,2-3,6-7,15H2/t8-/m1/s1
InChIKeyBMUOVICILYZPSL-MRVPVSSYSA-N
MW240.25 g/mol
LogP1.53
Rot. Bonds1

About [(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone

[(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone (PubChem CID 102978457) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone
PubChem CID102978457
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone
SMILESN[C@@H]1CCCN(C(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C12H14F2N2O/c13-9-4-1-5-10(14)11(9)12(17)16-6-2-3-8(15)7-16/h1,4-5,8H,2-3,6-7,15H2/t8-/m1/s1
InChIKeyBMUOVICILYZPSL-MRVPVSSYSA-N
XLogP1.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(2,6-difluorophenyl)methanone;hydrochloride
CID 119409169
[(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride
CID 176515188
[(3S)-3-aminopyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride
CID 119934296
(3-aminopyrrolidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride
CID 119482707
(2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550749
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-6-fluorophenyl)methanone;hydrochloride
CID 119465104
N-[[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95297629
2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid
CID 103428976
1-(3-aminopiperidin-1-yl)-3-(2,6-difluorophenyl)prop-2-en-1-one;hydrochloride
CID 126774517
(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride
CID 119378374
2-[1-(2,6-difluorobenzoyl)azepan-4-yl]acetic acid
CID 120950031
(2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217403

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone (CID 102978457) is [(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone is N[C@@H]1CCCN(C(=O)c2c(F)cccc2F)C1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone?
The InChIKey is BMUOVICILYZPSL-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c13-9-4-1-5-10(14)11(9)12(17)16-6-2-3-8(15)7-16/h1,4-5,8H,2-3,6-7,15H2/t8-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone?
[(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone has a molecular weight of 240.25 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 102978457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).