4-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-ol

C9H16F3NO — CID 90418902

IUPAC4-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-ol
SMILESCC(CC1(O)CCNCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-7(9(10,11)12)6-8(14)2-4-13-5-3-8/h7,13-14H,2-6H2,1H3
InChIKeyHBLYERBTOLSJNK-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.69
Rot. Bonds2

About 4-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-ol

4-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-ol (PubChem CID 90418902) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 4-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-ol
PubChem CID90418902
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name4-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-ol
SMILESCC(CC1(O)CCNCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-7(9(10,11)12)6-8(14)2-4-13-5-3-8/h7,13-14H,2-6H2,1H3
InChIKeyHBLYERBTOLSJNK-UHFFFAOYSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-ol?
The IUPAC name of 4-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-ol (CID 90418902) is 4-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-ol.
What is the SMILES notation for 4-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-ol?
The canonical SMILES for 4-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-ol is CC(CC1(O)CCNCC1)C(F)(F)F.
What is the InChIKey of 4-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-ol?
The InChIKey is HBLYERBTOLSJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-7(9(10,11)12)6-8(14)2-4-13-5-3-8/h7,13-14H,2-6H2,1H3.
What are the key properties of 4-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-ol?
4-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-ol has a molecular weight of 211.23 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoro-2-methylpropyl)piperidin-4-ol is sourced from PubChem (CID 90418902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).