1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-difluoroethanone

C11H18F2N2O — CID 103514265

IUPAC1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-difluoroethanone
SMILESO=C(C(F)F)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C11H18F2N2O/c12-10(13)11(16)15-5-3-9(4-6-15)14-7-8-1-2-8/h8-10,14H,1-7H2
InChIKeyWLWZZWAIRNLMHU-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.24
Rot. Bonds4

About 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-difluoroethanone

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-difluoroethanone (PubChem CID 103514265) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-difluoroethanone.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-difluoroethanone
PubChem CID103514265
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-difluoroethanone
SMILESO=C(C(F)F)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C11H18F2N2O/c12-10(13)11(16)15-5-3-9(4-6-15)14-7-8-1-2-8/h8-10,14H,1-7H2
InChIKeyWLWZZWAIRNLMHU-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-difluoroethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Cyclopropanecarbonylpiperidin-4-amine
CID 3163331
N-piperidin-4-ylcyclopropanecarboxamide
CID 1445166
1-Acetyl-N-cyclopropylpiperidin-4-amine
CID 2735241
2-methyl-N-[1-(propan-2-yl)piperidin-4-yl]propanamide
CID 25236583
2-methyl-N-(1-propylpiperidin-4-yl)propanamide
CID 25236862
1-Cyclopropanecarbonylpiperidin-4-amine hydrochloride
CID 50944219
N-(piperidin-4-yl)cyclopropanecarboxamide hydrochloride
CID 53255532
2,2,2-trifluoro-N-(piperidin-4-yl)acetamide
CID 10774253
N-(1-ethylpiperidin-4-yl)cyclopropanecarboxamide
CID 17250293
N-(1-methylpiperidin-4-yl)cyclopropanecarboxamide
CID 25236113
Acetamide, 2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)-
CID 6421687
N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 62732802

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-difluoroethanone?
The IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-difluoroethanone (CID 103514265) is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-difluoroethanone.
What is the SMILES notation for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-difluoroethanone?
The canonical SMILES for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-difluoroethanone is O=C(C(F)F)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-difluoroethanone?
The InChIKey is WLWZZWAIRNLMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O/c12-10(13)11(16)15-5-3-9(4-6-15)14-7-8-1-2-8/h8-10,14H,1-7H2.
What are the key properties of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-difluoroethanone?
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-difluoroethanone has a molecular weight of 232.27 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-difluoroethanone is sourced from PubChem (CID 103514265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).