(4,4-difluoropiperidin-1-yl)-piperidin-2-ylmethanone

C11H18F2N2O — CID 116991084

IUPAC(4,4-difluoropiperidin-1-yl)-piperidin-2-ylmethanone
SMILESO=C(C1CCCCN1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H18F2N2O/c12-11(13)4-7-15(8-5-11)10(16)9-3-1-2-6-14-9/h9,14H,1-8H2
InChIKeyHRNKITYGWMSODZ-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.39
Rot. Bonds1

About (4,4-difluoropiperidin-1-yl)-piperidin-2-ylmethanone

(4,4-difluoropiperidin-1-yl)-piperidin-2-ylmethanone (PubChem CID 116991084) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-piperidin-2-ylmethanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-piperidin-2-ylmethanone
PubChem CID116991084
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC Name(4,4-difluoropiperidin-1-yl)-piperidin-2-ylmethanone
SMILESO=C(C1CCCCN1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H18F2N2O/c12-11(13)4-7-15(8-5-11)10(16)9-3-1-2-6-14-9/h9,14H,1-8H2
InChIKeyHRNKITYGWMSODZ-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 94899369
(3,3-difluoropyrrolidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 135306349
(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119316184
azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone
CID 64571164
(4,4-dimethylazepan-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 103812421
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
(3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 103356057
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
4-ethyl-1-[(2R)-piperidine-2-carbonyl]piperidine-4-carboxylic acid
CID 104913902

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-piperidin-2-ylmethanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-piperidin-2-ylmethanone (CID 116991084) is (4,4-difluoropiperidin-1-yl)-piperidin-2-ylmethanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-piperidin-2-ylmethanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-piperidin-2-ylmethanone is O=C(C1CCCCN1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-piperidin-2-ylmethanone?
The InChIKey is HRNKITYGWMSODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O/c12-11(13)4-7-15(8-5-11)10(16)9-3-1-2-6-14-9/h9,14H,1-8H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-piperidin-2-ylmethanone?
(4,4-difluoropiperidin-1-yl)-piperidin-2-ylmethanone has a molecular weight of 232.27 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-piperidin-2-ylmethanone is sourced from PubChem (CID 116991084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).