[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone

C19H26FNO3 — CID 70738185

IUPAC[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone
SMILESO=C(C1CCC(O)CC1)N1CCCC(COc2ccc(F)cc2)C1
InChIInChI=1S/C19H26FNO3/c20-16-5-9-18(10-6-16)24-13-14-2-1-11-21(12-14)19(23)15-3-7-17(22)8-4-15/h5-6,9-10,14-15,17,22H,1-4,7-8,11-13H2
InChIKeyVROOGVKTXGHINK-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.99
Rot. Bonds4

About [3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone

[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone (PubChem CID 70738185) has the molecular formula C19H26FNO3 and a molecular weight of 335.42 g/mol. Its IUPAC name is [3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone.

Molecular Properties

Compound Name[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone
PubChem CID70738185
Molecular FormulaC19H26FNO3
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone
SMILESO=C(C1CCC(O)CC1)N1CCCC(COc2ccc(F)cc2)C1
InChIInChI=1S/C19H26FNO3/c20-16-5-9-18(10-6-16)24-13-14-2-1-11-21(12-14)19(23)15-3-7-17(22)8-4-15/h5-6,9-10,14-15,17,22H,1-4,7-8,11-13H2
InChIKeyVROOGVKTXGHINK-UHFFFAOYSA-N
XLogP2.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone?
The IUPAC name of [3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone (CID 70738185) is [3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone.
What is the SMILES notation for [3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone?
The canonical SMILES for [3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone is O=C(C1CCC(O)CC1)N1CCCC(COc2ccc(F)cc2)C1.
What is the InChIKey of [3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone?
The InChIKey is VROOGVKTXGHINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO3/c20-16-5-9-18(10-6-16)24-13-14-2-1-11-21(12-14)19(23)15-3-7-17(22)8-4-15/h5-6,9-10,14-15,17,22H,1-4,7-8,11-13H2.
What are the key properties of [3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone?
[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone has a molecular weight of 335.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone is sourced from PubChem (CID 70738185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).