[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone

C18H23F2NO — CID 45175800

IUPAC[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCCC(CCc3ccc(F)c(F)c3)C2)CC1
InChIInChI=1S/C18H23F2NO/c1-18(8-9-18)17(22)21-10-2-3-14(12-21)5-4-13-6-7-15(19)16(20)11-13/h6-7,11,14H,2-5,8-10,12H2,1H3
InChIKeyLKRJAERJKRMRGN-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.94
Rot. Bonds4

About [3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone

[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone (PubChem CID 45175800) has the molecular formula C18H23F2NO and a molecular weight of 307.38 g/mol. Its IUPAC name is [3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
PubChem CID45175800
Molecular FormulaC18H23F2NO
Molecular Weight307.38 g/mol
Exact Mass307.17
IUPAC Name[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCCC(CCc3ccc(F)c(F)c3)C2)CC1
InChIInChI=1S/C18H23F2NO/c1-18(8-9-18)17(22)21-10-2-3-14(12-21)5-4-13-6-7-15(19)16(20)11-13/h6-7,11,14H,2-5,8-10,12H2,1H3
InChIKeyLKRJAERJKRMRGN-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone?
The IUPAC name of [3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone (CID 45175800) is [3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone.
What is the SMILES notation for [3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone?
The canonical SMILES for [3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone is CC1(C(=O)N2CCCC(CCc3ccc(F)c(F)c3)C2)CC1.
What is the InChIKey of [3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone?
The InChIKey is LKRJAERJKRMRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2NO/c1-18(8-9-18)17(22)21-10-2-3-14(12-21)5-4-13-6-7-15(19)16(20)11-13/h6-7,11,14H,2-5,8-10,12H2,1H3.
What are the key properties of [3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone?
[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone has a molecular weight of 307.38 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 45175800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).