2-cyclopentyloxy-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone

C19H26FNO3 — CID 56783973

IUPAC2-cyclopentyloxy-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone
SMILESO=C(COC1CCCC1)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H26FNO3/c20-16-7-5-14(6-8-16)19(23)15-9-11-21(12-10-15)18(22)13-24-17-3-1-2-4-17/h5-8,15,17,19,23H,1-4,9-13H2
InChIKeyKVBBHMMHNMRDCX-UHFFFAOYSA-N
MW335.42 g/mol
LogP3.06
Rot. Bonds5

About 2-cyclopentyloxy-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone

2-cyclopentyloxy-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone (PubChem CID 56783973) has the molecular formula C19H26FNO3 and a molecular weight of 335.42 g/mol. Its IUPAC name is 2-cyclopentyloxy-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyloxy-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone
PubChem CID56783973
Molecular FormulaC19H26FNO3
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name2-cyclopentyloxy-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone
SMILESO=C(COC1CCCC1)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H26FNO3/c20-16-7-5-14(6-8-16)19(23)15-9-11-21(12-10-15)18(22)13-24-17-3-1-2-4-17/h5-8,15,17,19,23H,1-4,9-13H2
InChIKeyKVBBHMMHNMRDCX-UHFFFAOYSA-N
XLogP3.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyloxy-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone (CID 56783973) is 2-cyclopentyloxy-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyloxy-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyloxy-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone is O=C(COC1CCCC1)N1CCC(C(O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-cyclopentyloxy-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone?
The InChIKey is KVBBHMMHNMRDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO3/c20-16-7-5-14(6-8-16)19(23)15-9-11-21(12-10-15)18(22)13-24-17-3-1-2-4-17/h5-8,15,17,19,23H,1-4,9-13H2.
What are the key properties of 2-cyclopentyloxy-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone?
2-cyclopentyloxy-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone has a molecular weight of 335.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 56783973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).