(3,3-difluoropiperidin-1-yl)-[1-(hydroxymethyl)cyclopropyl]methanone

C10H15F2NO2 — CID 116991510

IUPAC(3,3-difluoropiperidin-1-yl)-[1-(hydroxymethyl)cyclopropyl]methanone
SMILESO=C(N1CCCC(F)(F)C1)C1(CO)CC1
InChIInChI=1S/C10H15F2NO2/c11-10(12)2-1-5-13(6-10)8(15)9(7-14)3-4-9/h14H,1-7H2
InChIKeyCFSUGIJWZLVNIG-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.02
Rot. Bonds2

About (3,3-difluoropiperidin-1-yl)-[1-(hydroxymethyl)cyclopropyl]methanone

(3,3-difluoropiperidin-1-yl)-[1-(hydroxymethyl)cyclopropyl]methanone (PubChem CID 116991510) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is (3,3-difluoropiperidin-1-yl)-[1-(hydroxymethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(3,3-difluoropiperidin-1-yl)-[1-(hydroxymethyl)cyclopropyl]methanone
PubChem CID116991510
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name(3,3-difluoropiperidin-1-yl)-[1-(hydroxymethyl)cyclopropyl]methanone
SMILESO=C(N1CCCC(F)(F)C1)C1(CO)CC1
InChIInChI=1S/C10H15F2NO2/c11-10(12)2-1-5-13(6-10)8(15)9(7-14)3-4-9/h14H,1-7H2
InChIKeyCFSUGIJWZLVNIG-UHFFFAOYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-difluoropiperidin-1-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116991523
1-(3,3-difluoropiperidin-1-yl)propan-1-one
CID 89382158
1-(3,3-difluoropiperidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 116991513
5-(3,3-difluoropiperidin-1-yl)-5-oxopentanoic acid
CID 116991461
ethyl 3,3-difluoropiperidine-1-carboxylate
CID 118335614
3,3-difluoropiperidine-1-carbohydrazide
CID 116991543
4-(3,3-difluoropiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 116991467
(3,3-difluoropyrrolidin-1-yl)-[1-(methylaminomethyl)cyclobutyl]methanone
CID 116991766
4-amino-1-(3,3-difluoropiperidin-1-yl)pentan-1-one
CID 116991427
2-cyclopropyl-3-(3,3-difluoropiperidine-1-carbonyl)benzoic acid
CID 169452028
[1-(hydroxymethyl)cyclohexyl]-piperazin-1-ylmethanone
CID 82509882
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-[1-(hydroxymethyl)cyclopropyl]methanone
CID 164698444

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropiperidin-1-yl)-[1-(hydroxymethyl)cyclopropyl]methanone?
The IUPAC name of (3,3-difluoropiperidin-1-yl)-[1-(hydroxymethyl)cyclopropyl]methanone (CID 116991510) is (3,3-difluoropiperidin-1-yl)-[1-(hydroxymethyl)cyclopropyl]methanone.
What is the SMILES notation for (3,3-difluoropiperidin-1-yl)-[1-(hydroxymethyl)cyclopropyl]methanone?
The canonical SMILES for (3,3-difluoropiperidin-1-yl)-[1-(hydroxymethyl)cyclopropyl]methanone is O=C(N1CCCC(F)(F)C1)C1(CO)CC1.
What is the InChIKey of (3,3-difluoropiperidin-1-yl)-[1-(hydroxymethyl)cyclopropyl]methanone?
The InChIKey is CFSUGIJWZLVNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c11-10(12)2-1-5-13(6-10)8(15)9(7-14)3-4-9/h14H,1-7H2.
What are the key properties of (3,3-difluoropiperidin-1-yl)-[1-(hydroxymethyl)cyclopropyl]methanone?
(3,3-difluoropiperidin-1-yl)-[1-(hydroxymethyl)cyclopropyl]methanone has a molecular weight of 219.23 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropiperidin-1-yl)-[1-(hydroxymethyl)cyclopropyl]methanone is sourced from PubChem (CID 116991510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).