(3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

C13H23F2N3O — CID 126752735

IUPAC(3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)N2CCCC(F)(F)C2)CC1
InChIInChI=1S/C13H23F2N3O/c1-11(2)16-6-8-17(9-7-16)12(19)18-5-3-4-13(14,15)10-18/h11H,3-10H2,1-2H3
InChIKeyMUKLDWXGIUOCJZ-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.86
Rot. Bonds1

About (3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

(3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 126752735) has the molecular formula C13H23F2N3O and a molecular weight of 275.34 g/mol. Its IUPAC name is (3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID126752735
Molecular FormulaC13H23F2N3O
Molecular Weight275.34 g/mol
Exact Mass275.18
IUPAC Name(3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)N2CCCC(F)(F)C2)CC1
InChIInChI=1S/C13H23F2N3O/c1-11(2)16-6-8-17(9-7-16)12(19)18-5-3-4-13(14,15)10-18/h11H,3-10H2,1-2H3
InChIKeyMUKLDWXGIUOCJZ-UHFFFAOYSA-N
XLogP1.86
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bis(2,2-difluoropiperidin-1-yl)methanone
CID 68882898
Bis(2-fluoropiperidin-1-yl)methanone
CID 68883073
Bis[2-(trifluoromethyl)piperidin-1-yl]methanone
CID 87726117
(4,4-Difluoropiperidin-1-yl)-piperazin-1-ylmethanone
CID 116991124
(4,4-Difluoropiperidin-1-yl)-(2-methylpiperidin-1-yl)methanone
CID 117710739
(4,4-Difluoropiperidin-1-yl)(4-methylpiperazin-1-yl)methanone
CID 121184662
(4,4-Difluoropiperidin-1-yl)-piperidin-1-ylmethanone
CID 123780835
4,4-difluoro-N-(1-methylpiperidin-4-yl)piperidine-1-carboxamide
CID 124199504
3,3-difluoro-N-(1-methylpiperidin-4-yl)piperidine-1-carboxamide
CID 124199508
(3-Fluoropiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 124200314
(3,3-Difluoropiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 124200315
(4-Fluoropiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 124200322

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 126752735) is (3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)N2CCCC(F)(F)C2)CC1.
What is the InChIKey of (3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is MUKLDWXGIUOCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2N3O/c1-11(2)16-6-8-17(9-7-16)12(19)18-5-3-4-13(14,15)10-18/h11H,3-10H2,1-2H3.
What are the key properties of (3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 275.34 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 126752735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).