1-[1-[(3,3-difluorocyclopentyl)methyl]piperidin-2-yl]propan-2-one

C14H23F2NO — CID 114224066

IUPAC1-[1-[(3,3-difluorocyclopentyl)methyl]piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1CC1CCC(F)(F)C1
InChIInChI=1S/C14H23F2NO/c1-11(18)8-13-4-2-3-7-17(13)10-12-5-6-14(15,16)9-12/h12-13H,2-10H2,1H3
InChIKeyKRDXBNSGBCNCSD-UHFFFAOYSA-N
MW259.34 g/mol
LogP3.26
Rot. Bonds4

About 1-[1-[(3,3-difluorocyclopentyl)methyl]piperidin-2-yl]propan-2-one

1-[1-[(3,3-difluorocyclopentyl)methyl]piperidin-2-yl]propan-2-one (PubChem CID 114224066) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is 1-[1-[(3,3-difluorocyclopentyl)methyl]piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[(3,3-difluorocyclopentyl)methyl]piperidin-2-yl]propan-2-one
PubChem CID114224066
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC Name1-[1-[(3,3-difluorocyclopentyl)methyl]piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1CC1CCC(F)(F)C1
InChIInChI=1S/C14H23F2NO/c1-11(18)8-13-4-2-3-7-17(13)10-12-5-6-14(15,16)9-12/h12-13H,2-10H2,1H3
InChIKeyKRDXBNSGBCNCSD-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,3-difluorocyclopentyl)methyl]piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-[(3,3-difluorocyclopentyl)methyl]piperidin-2-yl]propan-2-one (CID 114224066) is 1-[1-[(3,3-difluorocyclopentyl)methyl]piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-[(3,3-difluorocyclopentyl)methyl]piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-[(3,3-difluorocyclopentyl)methyl]piperidin-2-yl]propan-2-one is CC(=O)CC1CCCCN1CC1CCC(F)(F)C1.
What is the InChIKey of 1-[1-[(3,3-difluorocyclopentyl)methyl]piperidin-2-yl]propan-2-one?
The InChIKey is KRDXBNSGBCNCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO/c1-11(18)8-13-4-2-3-7-17(13)10-12-5-6-14(15,16)9-12/h12-13H,2-10H2,1H3.
What are the key properties of 1-[1-[(3,3-difluorocyclopentyl)methyl]piperidin-2-yl]propan-2-one?
1-[1-[(3,3-difluorocyclopentyl)methyl]piperidin-2-yl]propan-2-one has a molecular weight of 259.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,3-difluorocyclopentyl)methyl]piperidin-2-yl]propan-2-one is sourced from PubChem (CID 114224066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).