1-[3-[4-(1,1-difluoroethyl)phenyl]-3-methylbutyl]piperidin-4-ol

C18H27F2NO — CID 142475448

IUPAC1-[3-[4-(1,1-difluoroethyl)phenyl]-3-methylbutyl]piperidin-4-ol
SMILESCC(F)(F)c1ccc(C(C)(C)CCN2CCC(O)CC2)cc1
InChIInChI=1S/C18H27F2NO/c1-17(2,10-13-21-11-8-16(22)9-12-21)14-4-6-15(7-5-14)18(3,19)20/h4-7,16,22H,8-13H2,1-3H3
InChIKeyWAATZKWXMZJBRD-UHFFFAOYSA-N
MW311.42 g/mol
LogP3.92
Rot. Bonds5

About 1-[3-[4-(1,1-difluoroethyl)phenyl]-3-methylbutyl]piperidin-4-ol

1-[3-[4-(1,1-difluoroethyl)phenyl]-3-methylbutyl]piperidin-4-ol (PubChem CID 142475448) has the molecular formula C18H27F2NO and a molecular weight of 311.42 g/mol. Its IUPAC name is 1-[3-[4-(1,1-difluoroethyl)phenyl]-3-methylbutyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[4-(1,1-difluoroethyl)phenyl]-3-methylbutyl]piperidin-4-ol
PubChem CID142475448
Molecular FormulaC18H27F2NO
Molecular Weight311.42 g/mol
Exact Mass311.21
IUPAC Name1-[3-[4-(1,1-difluoroethyl)phenyl]-3-methylbutyl]piperidin-4-ol
SMILESCC(F)(F)c1ccc(C(C)(C)CCN2CCC(O)CC2)cc1
InChIInChI=1S/C18H27F2NO/c1-17(2,10-13-21-11-8-16(22)9-12-21)14-4-6-15(7-5-14)18(3,19)20/h4-7,16,22H,8-13H2,1-3H3
InChIKeyWAATZKWXMZJBRD-UHFFFAOYSA-N
XLogP3.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Phenylethyl)-4-piperidinol
CID 77055
1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidin-4-ol
CID 13607663
1-(2-Phenylpropyl)piperidin-4-ol
CID 2846178
2-[(4-tert-Butylphenyl)methyl]-3-piperidin-1-ylpropan-1-ol
CID 139594270
2-Methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol
CID 139596448
1-(4-Phenyl-piperidin-1-yl)-butan-2-ol
CID 3078235
US11214540, Example 6
CID 142475158
US11214540, Example 13
CID 142475191
US11214540, Example 4
CID 142475238
US11214540, Example 2
CID 142475315
US11214540, Example 7
CID 155138855
4-(4-Hydroxypiperidin-1-yl)-2,2-diphenylbutanenitrile
CID 71463015

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(1,1-difluoroethyl)phenyl]-3-methylbutyl]piperidin-4-ol?
The IUPAC name of 1-[3-[4-(1,1-difluoroethyl)phenyl]-3-methylbutyl]piperidin-4-ol (CID 142475448) is 1-[3-[4-(1,1-difluoroethyl)phenyl]-3-methylbutyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[4-(1,1-difluoroethyl)phenyl]-3-methylbutyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[4-(1,1-difluoroethyl)phenyl]-3-methylbutyl]piperidin-4-ol is CC(F)(F)c1ccc(C(C)(C)CCN2CCC(O)CC2)cc1.
What is the InChIKey of 1-[3-[4-(1,1-difluoroethyl)phenyl]-3-methylbutyl]piperidin-4-ol?
The InChIKey is WAATZKWXMZJBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2NO/c1-17(2,10-13-21-11-8-16(22)9-12-21)14-4-6-15(7-5-14)18(3,19)20/h4-7,16,22H,8-13H2,1-3H3.
What are the key properties of 1-[3-[4-(1,1-difluoroethyl)phenyl]-3-methylbutyl]piperidin-4-ol?
1-[3-[4-(1,1-difluoroethyl)phenyl]-3-methylbutyl]piperidin-4-ol has a molecular weight of 311.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(1,1-difluoroethyl)phenyl]-3-methylbutyl]piperidin-4-ol is sourced from PubChem (CID 142475448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).