[1-[(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidin-4-yl]methanol

C16H22FNOS — CID 19982146

IUPAC[1-[(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(CC2CSc3ccc(F)cc3C2)CC1
InChIInChI=1S/C16H22FNOS/c17-15-1-2-16-14(8-15)7-13(11-20-16)9-18-5-3-12(10-19)4-6-18/h1-2,8,12-13,19H,3-7,9-11H2
InChIKeyNSKPINAFZMNKMF-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.79
Rot. Bonds3

About [1-[(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidin-4-yl]methanol

[1-[(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidin-4-yl]methanol (PubChem CID 19982146) has the molecular formula C16H22FNOS and a molecular weight of 295.42 g/mol. Its IUPAC name is [1-[(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidin-4-yl]methanol
PubChem CID19982146
Molecular FormulaC16H22FNOS
Molecular Weight295.42 g/mol
Exact Mass295.14
IUPAC Name[1-[(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(CC2CSc3ccc(F)cc3C2)CC1
InChIInChI=1S/C16H22FNOS/c17-15-1-2-16-14(8-15)7-13(11-20-16)9-18-5-3-12(10-19)4-6-18/h1-2,8,12-13,19H,3-7,9-11H2
InChIKeyNSKPINAFZMNKMF-UHFFFAOYSA-N
XLogP2.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidin-4-yl]methanol (CID 19982146) is [1-[(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidin-4-yl]methanol is OCC1CCN(CC2CSc3ccc(F)cc3C2)CC1.
What is the InChIKey of [1-[(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is NSKPINAFZMNKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNOS/c17-15-1-2-16-14(8-15)7-13(11-20-16)9-18-5-3-12(10-19)4-6-18/h1-2,8,12-13,19H,3-7,9-11H2.
What are the key properties of [1-[(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidin-4-yl]methanol?
[1-[(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 295.42 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 19982146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).