4-[3-[3-(trifluoromethyl)piperidin-1-yl]butyl]phenol

C16H22F3NO — CID 82965632

IUPAC4-[3-[3-(trifluoromethyl)piperidin-1-yl]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H22F3NO/c1-12(4-5-13-6-8-15(21)9-7-13)20-10-2-3-14(11-20)16(17,18)19/h6-9,12,14,21H,2-5,10-11H2,1H3
InChIKeyIWQLLJGSMAATPF-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.99
Rot. Bonds4

About 4-[3-[3-(trifluoromethyl)piperidin-1-yl]butyl]phenol

4-[3-[3-(trifluoromethyl)piperidin-1-yl]butyl]phenol (PubChem CID 82965632) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-[3-[3-(trifluoromethyl)piperidin-1-yl]butyl]phenol.

Molecular Properties

Compound Name4-[3-[3-(trifluoromethyl)piperidin-1-yl]butyl]phenol
PubChem CID82965632
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name4-[3-[3-(trifluoromethyl)piperidin-1-yl]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H22F3NO/c1-12(4-5-13-6-8-15(21)9-7-13)20-10-2-3-14(11-20)16(17,18)19/h6-9,12,14,21H,2-5,10-11H2,1H3
InChIKeyIWQLLJGSMAATPF-UHFFFAOYSA-N
XLogP3.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(trifluoromethyl)piperidin-1-yl]butyl]phenol?
The IUPAC name of 4-[3-[3-(trifluoromethyl)piperidin-1-yl]butyl]phenol (CID 82965632) is 4-[3-[3-(trifluoromethyl)piperidin-1-yl]butyl]phenol.
What is the SMILES notation for 4-[3-[3-(trifluoromethyl)piperidin-1-yl]butyl]phenol?
The canonical SMILES for 4-[3-[3-(trifluoromethyl)piperidin-1-yl]butyl]phenol is CC(CCc1ccc(O)cc1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 4-[3-[3-(trifluoromethyl)piperidin-1-yl]butyl]phenol?
The InChIKey is IWQLLJGSMAATPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-12(4-5-13-6-8-15(21)9-7-13)20-10-2-3-14(11-20)16(17,18)19/h6-9,12,14,21H,2-5,10-11H2,1H3.
What are the key properties of 4-[3-[3-(trifluoromethyl)piperidin-1-yl]butyl]phenol?
4-[3-[3-(trifluoromethyl)piperidin-1-yl]butyl]phenol has a molecular weight of 301.35 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(trifluoromethyl)piperidin-1-yl]butyl]phenol is sourced from PubChem (CID 82965632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).