5-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-4,4-dimethylpentanenitrile

C13H21F3N2O — CID 86796033

IUPAC5-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-4,4-dimethylpentanenitrile
SMILESCC(C)(CCC#N)CN1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2O/c1-11(2,4-3-7-17)10-18-8-5-12(19,6-9-18)13(14,15)16/h19H,3-6,8-10H2,1-2H3
InChIKeyKDYSDRUWDJWPAL-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.71
Rot. Bonds4

About 5-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-4,4-dimethylpentanenitrile

5-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-4,4-dimethylpentanenitrile (PubChem CID 86796033) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is 5-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-4,4-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-4,4-dimethylpentanenitrile
PubChem CID86796033
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name5-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-4,4-dimethylpentanenitrile
SMILESCC(C)(CCC#N)CN1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2O/c1-11(2,4-3-7-17)10-18-8-5-12(19,6-9-18)13(14,15)16/h19H,3-6,8-10H2,1-2H3
InChIKeyKDYSDRUWDJWPAL-UHFFFAOYSA-N
XLogP2.71
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-4,4-dimethylpentanenitrile?
The IUPAC name of 5-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-4,4-dimethylpentanenitrile (CID 86796033) is 5-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-4,4-dimethylpentanenitrile.
What is the SMILES notation for 5-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-4,4-dimethylpentanenitrile?
The canonical SMILES for 5-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-4,4-dimethylpentanenitrile is CC(C)(CCC#N)CN1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 5-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-4,4-dimethylpentanenitrile?
The InChIKey is KDYSDRUWDJWPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-11(2,4-3-7-17)10-18-8-5-12(19,6-9-18)13(14,15)16/h19H,3-6,8-10H2,1-2H3.
What are the key properties of 5-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-4,4-dimethylpentanenitrile?
5-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-4,4-dimethylpentanenitrile has a molecular weight of 278.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-4,4-dimethylpentanenitrile is sourced from PubChem (CID 86796033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).