[4-(fluoromethyl)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone

C12H20FNO2 — CID 126793922

IUPAC[4-(fluoromethyl)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
SMILESO=C(N1CCC(CF)CC1)C1(O)CCCC1
InChIInChI=1S/C12H20FNO2/c13-9-10-3-7-14(8-4-10)11(15)12(16)5-1-2-6-12/h10,16H,1-9H2
InChIKeyZTRDZXFGNHDTQM-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.50
Rot. Bonds2

About [4-(fluoromethyl)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone

[4-(fluoromethyl)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone (PubChem CID 126793922) has the molecular formula C12H20FNO2 and a molecular weight of 229.29 g/mol. Its IUPAC name is [4-(fluoromethyl)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone.

Molecular Properties

Compound Name[4-(fluoromethyl)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
PubChem CID126793922
Molecular FormulaC12H20FNO2
Molecular Weight229.29 g/mol
Exact Mass229.15
IUPAC Name[4-(fluoromethyl)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
SMILESO=C(N1CCC(CF)CC1)C1(O)CCCC1
InChIInChI=1S/C12H20FNO2/c13-9-10-3-7-14(8-4-10)11(15)12(16)5-1-2-6-12/h10,16H,1-9H2
InChIKeyZTRDZXFGNHDTQM-UHFFFAOYSA-N
XLogP1.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(fluoromethyl)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone?
The IUPAC name of [4-(fluoromethyl)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone (CID 126793922) is [4-(fluoromethyl)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone.
What is the SMILES notation for [4-(fluoromethyl)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone?
The canonical SMILES for [4-(fluoromethyl)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone is O=C(N1CCC(CF)CC1)C1(O)CCCC1.
What is the InChIKey of [4-(fluoromethyl)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone?
The InChIKey is ZTRDZXFGNHDTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO2/c13-9-10-3-7-14(8-4-10)11(15)12(16)5-1-2-6-12/h10,16H,1-9H2.
What are the key properties of [4-(fluoromethyl)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone?
[4-(fluoromethyl)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone has a molecular weight of 229.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(fluoromethyl)piperidin-1-yl]-(1-hydroxycyclopentyl)methanone is sourced from PubChem (CID 126793922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).