piperidin-1-yl-[4-(trifluoromethyl)phenyl]methanol

C13H16F3NO — CID 19040911

IUPACpiperidin-1-yl-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)N1CCCCC1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-6-4-10(5-7-11)12(18)17-8-2-1-3-9-17/h4-7,12,18H,1-3,8-9H2
InChIKeySZQGQJCAZIYZQZ-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.18
Rot. Bonds2

About piperidin-1-yl-[4-(trifluoromethyl)phenyl]methanol

piperidin-1-yl-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 19040911) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is piperidin-1-yl-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Namepiperidin-1-yl-[4-(trifluoromethyl)phenyl]methanol
PubChem CID19040911
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Namepiperidin-1-yl-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)N1CCCCC1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-6-4-10(5-7-11)12(18)17-8-2-1-3-9-17/h4-7,12,18H,1-3,8-9H2
InChIKeySZQGQJCAZIYZQZ-UHFFFAOYSA-N
XLogP3.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of piperidin-1-yl-[4-(trifluoromethyl)phenyl]methanol (CID 19040911) is piperidin-1-yl-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for piperidin-1-yl-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for piperidin-1-yl-[4-(trifluoromethyl)phenyl]methanol is OC(c1ccc(C(F)(F)F)cc1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is SZQGQJCAZIYZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)11-6-4-10(5-7-11)12(18)17-8-2-1-3-9-17/h4-7,12,18H,1-3,8-9H2.
What are the key properties of piperidin-1-yl-[4-(trifluoromethyl)phenyl]methanol?
piperidin-1-yl-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 259.27 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 19040911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).