[2,3-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol

C17H16F6N2O — CID 87440153

IUPAC[2,3-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol
SMILESOC(c1c(C(F)(F)F)c(C(F)(F)F)nc2ccccc12)C1CCCCN1
InChIInChI=1S/C17H16F6N2O/c18-16(19,20)13-12(14(26)11-7-3-4-8-24-11)9-5-1-2-6-10(9)25-15(13)17(21,22)23/h1-2,5-6,11,14,24,26H,3-4,7-8H2
InChIKeySPNZNSLMKQIQLJ-UHFFFAOYSA-N
MW378.32 g/mol
LogP4.45
Rot. Bonds2

About [2,3-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol

[2,3-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol (PubChem CID 87440153) has the molecular formula C17H16F6N2O and a molecular weight of 378.32 g/mol. Its IUPAC name is [2,3-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol.

Molecular Properties

Compound Name[2,3-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol
PubChem CID87440153
Molecular FormulaC17H16F6N2O
Molecular Weight378.32 g/mol
Exact Mass378.12
IUPAC Name[2,3-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol
SMILESOC(c1c(C(F)(F)F)c(C(F)(F)F)nc2ccccc12)C1CCCCN1
InChIInChI=1S/C17H16F6N2O/c18-16(19,20)13-12(14(26)11-7-3-4-8-24-11)9-5-1-2-6-10(9)25-15(13)17(21,22)23/h1-2,5-6,11,14,24,26H,3-4,7-8H2
InChIKeySPNZNSLMKQIQLJ-UHFFFAOYSA-N
XLogP4.45
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.32
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,3-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol?
The IUPAC name of [2,3-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol (CID 87440153) is [2,3-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol.
What is the SMILES notation for [2,3-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol?
The canonical SMILES for [2,3-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol is OC(c1c(C(F)(F)F)c(C(F)(F)F)nc2ccccc12)C1CCCCN1.
What is the InChIKey of [2,3-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol?
The InChIKey is SPNZNSLMKQIQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F6N2O/c18-16(19,20)13-12(14(26)11-7-3-4-8-24-11)9-5-1-2-6-10(9)25-15(13)17(21,22)23/h1-2,5-6,11,14,24,26H,3-4,7-8H2.
What are the key properties of [2,3-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol?
[2,3-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol has a molecular weight of 378.32 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol is sourced from PubChem (CID 87440153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).