[1-[2,4-bis(trifluoromethyl)phenyl]piperidin-4-yl]methanol

C14H15F6NO — CID 86678761

IUPAC[1-[2,4-bis(trifluoromethyl)phenyl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ccc(C(F)(F)F)cc2C(F)(F)F)CC1
InChIInChI=1S/C14H15F6NO/c15-13(16,17)10-1-2-12(11(7-10)14(18,19)20)21-5-3-9(8-22)4-6-21/h1-2,7,9,22H,3-6,8H2
InChIKeyQDALKMOHBSNQRN-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.93
Rot. Bonds2

About [1-[2,4-bis(trifluoromethyl)phenyl]piperidin-4-yl]methanol

[1-[2,4-bis(trifluoromethyl)phenyl]piperidin-4-yl]methanol (PubChem CID 86678761) has the molecular formula C14H15F6NO and a molecular weight of 327.27 g/mol. Its IUPAC name is [1-[2,4-bis(trifluoromethyl)phenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2,4-bis(trifluoromethyl)phenyl]piperidin-4-yl]methanol
PubChem CID86678761
Molecular FormulaC14H15F6NO
Molecular Weight327.27 g/mol
Exact Mass327.11
IUPAC Name[1-[2,4-bis(trifluoromethyl)phenyl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ccc(C(F)(F)F)cc2C(F)(F)F)CC1
InChIInChI=1S/C14H15F6NO/c15-13(16,17)10-1-2-12(11(7-10)14(18,19)20)21-5-3-9(8-22)4-6-21/h1-2,7,9,22H,3-6,8H2
InChIKeyQDALKMOHBSNQRN-UHFFFAOYSA-N
XLogP3.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[2,4-bis(trifluoromethyl)phenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2,4-bis(trifluoromethyl)phenyl]piperidin-4-yl]methanol (CID 86678761) is [1-[2,4-bis(trifluoromethyl)phenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2,4-bis(trifluoromethyl)phenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2,4-bis(trifluoromethyl)phenyl]piperidin-4-yl]methanol is OCC1CCN(c2ccc(C(F)(F)F)cc2C(F)(F)F)CC1.
What is the InChIKey of [1-[2,4-bis(trifluoromethyl)phenyl]piperidin-4-yl]methanol?
The InChIKey is QDALKMOHBSNQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F6NO/c15-13(16,17)10-1-2-12(11(7-10)14(18,19)20)21-5-3-9(8-22)4-6-21/h1-2,7,9,22H,3-6,8H2.
What are the key properties of [1-[2,4-bis(trifluoromethyl)phenyl]piperidin-4-yl]methanol?
[1-[2,4-bis(trifluoromethyl)phenyl]piperidin-4-yl]methanol has a molecular weight of 327.27 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2,4-bis(trifluoromethyl)phenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 86678761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).