1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]propan-2-ol

C16H23F2NO — CID 114338111

IUPAC1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1CC(F)(F)c1ccccc1
InChIInChI=1S/C16H23F2NO/c1-13(20)11-15-9-5-6-10-19(15)12-16(17,18)14-7-3-2-4-8-14/h2-4,7-8,13,15,20H,5-6,9-12H2,1H3
InChIKeyTWYJZHALCKPTGJ-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.40
Rot. Bonds5

About 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]propan-2-ol

1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]propan-2-ol (PubChem CID 114338111) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]propan-2-ol
PubChem CID114338111
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1CC(F)(F)c1ccccc1
InChIInChI=1S/C16H23F2NO/c1-13(20)11-15-9-5-6-10-19(15)12-16(17,18)14-7-3-2-4-8-14/h2-4,7-8,13,15,20H,5-6,9-12H2,1H3
InChIKeyTWYJZHALCKPTGJ-UHFFFAOYSA-N
XLogP3.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Phenylethyl)-4-piperidinol
CID 77055
Piperidinium, 1-(3-hydroxy-5-methyl-4-phenylhexyl)-1-methyl-, bromide (1:1)
CID 10619
(-)-trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methylpiperidine
CID 2734218
1-(2-Phenylpropyl)piperidin-4-ol
CID 2846178
Cyclohexanol, 2-(4-(phenylmethyl)-1-piperidinyl)-, trans-(+-)-
CID 3078230
(+/-)-threo-N-(4-Phenylbutyl)ritalinol
CID 52941366
(+/-)-threo-N-(3-Phenylpropyl)ritalinol
CID 52945256
(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
2-[1-Isopropyl-4-(3-phenylpropyl)-2-piperazinyl]ethanol
CID 23723392
[1-Cyclobutyl-4-(3-phenylpropyl)-4-piperidinyl]methanol
CID 23723713
Preussin I
CID 145964355

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]propan-2-ol (CID 114338111) is 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]propan-2-ol is CC(O)CC1CCCCN1CC(F)(F)c1ccccc1.
What is the InChIKey of 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]propan-2-ol?
The InChIKey is TWYJZHALCKPTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-13(20)11-15-9-5-6-10-19(15)12-16(17,18)14-7-3-2-4-8-14/h2-4,7-8,13,15,20H,5-6,9-12H2,1H3.
What are the key properties of 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]propan-2-ol?
1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]propan-2-ol has a molecular weight of 283.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]propan-2-ol is sourced from PubChem (CID 114338111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).