[3-[(4-fluorophenyl)methyl]-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol

C17H23F4NO — CID 23723239

IUPAC[3-[(4-fluorophenyl)methyl]-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol
SMILESOCC1(Cc2ccc(F)cc2)CCCN(CCCC(F)(F)F)C1
InChIInChI=1S/C17H23F4NO/c18-15-5-3-14(4-6-15)11-16(13-23)7-1-9-22(12-16)10-2-8-17(19,20)21/h3-6,23H,1-2,7-13H2
InChIKeyRRCSZSGBLAYNSV-UHFFFAOYSA-N
MW333.37 g/mol
LogP3.79
Rot. Bonds6

About [3-[(4-fluorophenyl)methyl]-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol

[3-[(4-fluorophenyl)methyl]-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol (PubChem CID 23723239) has the molecular formula C17H23F4NO and a molecular weight of 333.37 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methyl]-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methyl]-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol
PubChem CID23723239
Molecular FormulaC17H23F4NO
Molecular Weight333.37 g/mol
Exact Mass333.17
IUPAC Name[3-[(4-fluorophenyl)methyl]-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol
SMILESOCC1(Cc2ccc(F)cc2)CCCN(CCCC(F)(F)F)C1
InChIInChI=1S/C17H23F4NO/c18-15-5-3-14(4-6-15)11-16(13-23)7-1-9-22(12-16)10-2-8-17(19,20)21/h3-6,23H,1-2,7-13H2
InChIKeyRRCSZSGBLAYNSV-UHFFFAOYSA-N
XLogP3.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(-)-trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methylpiperidine
CID 2734218
(3S,4R)-4-(4-Fluorophenyl)-3-piperidinemethanol
CID 9855829
4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
CID 10176880
2-[(4-tert-Butylphenyl)methyl]-3-piperidin-1-ylpropan-1-ol
CID 139594270
(3-Benzyl-1-cyclopentylpiperidin-3-yl)methanol
CID 16188206
{3-benzyl-1-[(2E)-2-methylbut-2-en-1-yl]piperidin-3-yl}methanol
CID 16188287
[1-Cyclobutyl-4-(3-phenylpropyl)-4-piperidinyl]methanol
CID 23723713
{3-(2-Fluorobenzyl)-1-[3-(methylthio)propyl]piperidin-3-yl}methanol
CID 23723791
[1-(3-Butenoyl)-3-(2,4-difluorobenzyl)-3-piperidinyl]methanol
CID 23724064
(4-Benzyl-1-methylpiperidin-4-yl)methanol
CID 16191162
US11214540, Example 2
CID 142475315
4-Piperidinemethanol, 1-methyl-4-phenyl-
CID 199461

Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methyl]-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol?
The IUPAC name of [3-[(4-fluorophenyl)methyl]-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol (CID 23723239) is [3-[(4-fluorophenyl)methyl]-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(4-fluorophenyl)methyl]-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol?
The canonical SMILES for [3-[(4-fluorophenyl)methyl]-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol is OCC1(Cc2ccc(F)cc2)CCCN(CCCC(F)(F)F)C1.
What is the InChIKey of [3-[(4-fluorophenyl)methyl]-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol?
The InChIKey is RRCSZSGBLAYNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F4NO/c18-15-5-3-14(4-6-15)11-16(13-23)7-1-9-22(12-16)10-2-8-17(19,20)21/h3-6,23H,1-2,7-13H2.
What are the key properties of [3-[(4-fluorophenyl)methyl]-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol?
[3-[(4-fluorophenyl)methyl]-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol has a molecular weight of 333.37 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenyl)methyl]-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol is sourced from PubChem (CID 23723239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).