2-[1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-one

C17H21F2NO — CID 114930256

IUPAC2-[1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCCN1Cc1c(F)cccc1F
InChIInChI=1S/C17H21F2NO/c18-14-6-4-7-15(19)13(14)11-20-10-2-1-8-16(20)12-5-3-9-17(12)21/h4,6-7,12,16H,1-3,5,8-11H2
InChIKeyLMDQNMQOTHFQDV-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.69
Rot. Bonds3

About 2-[1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-one

2-[1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-one (PubChem CID 114930256) has the molecular formula C17H21F2NO and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-one
PubChem CID114930256
Molecular FormulaC17H21F2NO
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCCN1Cc1c(F)cccc1F
InChIInChI=1S/C17H21F2NO/c18-14-6-4-7-15(19)13(14)11-20-10-2-1-8-16(20)12-5-3-9-17(12)21/h4,6-7,12,16H,1-3,5,8-11H2
InChIKeyLMDQNMQOTHFQDV-UHFFFAOYSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-one (CID 114930256) is 2-[1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-one is O=C1CCCC1C1CCCCN1Cc1c(F)cccc1F.
What is the InChIKey of 2-[1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-one?
The InChIKey is LMDQNMQOTHFQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2NO/c18-14-6-4-7-15(19)13(14)11-20-10-2-1-8-16(20)12-5-3-9-17(12)21/h4,6-7,12,16H,1-3,5,8-11H2.
What are the key properties of 2-[1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-one?
2-[1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-one has a molecular weight of 293.36 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 114930256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).