(3,3-difluoro-1-methylcyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone

C14H23F2NO — CID 155470006

IUPAC(3,3-difluoro-1-methylcyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2(C)CC(F)(F)C2)CC1
InChIInChI=1S/C14H23F2NO/c1-10(2)11-4-6-17(7-5-11)12(18)13(3)8-14(15,16)9-13/h10-11H,4-9H2,1-3H3
InChIKeyFIHOCICZHIJXCW-UHFFFAOYSA-N
MW259.34 g/mol
LogP3.32
Rot. Bonds2

About (3,3-difluoro-1-methylcyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone

(3,3-difluoro-1-methylcyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 155470006) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is (3,3-difluoro-1-methylcyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoro-1-methylcyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID155470006
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC Name(3,3-difluoro-1-methylcyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2(C)CC(F)(F)C2)CC1
InChIInChI=1S/C14H23F2NO/c1-10(2)11-4-6-17(7-5-11)12(18)13(3)8-14(15,16)9-13/h10-11H,4-9H2,1-3H3
InChIKeyFIHOCICZHIJXCW-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-methylpiperidin-4-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103840374
(2,2-dichloro-1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155470189
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
(1-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 127916022
[4-(1-aminoethyl)piperidin-1-yl]-(1-methylcyclopentyl)methanone;hydrochloride
CID 119520786
(2-methylpyrrolidin-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103822274
ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate
CID 143709693
ethane;2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 143709835
[4-[1-(disulfanyl)ethyl]piperidin-1-yl]-(1-methylcycloheptyl)methanone
CID 155470161
N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide
CID 58688988
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-methylcyclohexyl)methanone
CID 105081761
2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 59542495

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-1-methylcyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (3,3-difluoro-1-methylcyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone (CID 155470006) is (3,3-difluoro-1-methylcyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (3,3-difluoro-1-methylcyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (3,3-difluoro-1-methylcyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCN(C(=O)C2(C)CC(F)(F)C2)CC1.
What is the InChIKey of (3,3-difluoro-1-methylcyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is FIHOCICZHIJXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO/c1-10(2)11-4-6-17(7-5-11)12(18)13(3)8-14(15,16)9-13/h10-11H,4-9H2,1-3H3.
What are the key properties of (3,3-difluoro-1-methylcyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
(3,3-difluoro-1-methylcyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 259.34 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-1-methylcyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 155470006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).