(2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine

C14H20F3N — CID 70903487

IUPAC(2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
SMILESCC[C@@H]1CCCN[C@H]1C1C=CC(C(F)(F)F)=CC1
InChIInChI=1S/C14H20F3N/c1-2-10-4-3-9-18-13(10)11-5-7-12(8-6-11)14(15,16)17/h5,7-8,10-11,13,18H,2-4,6,9H2,1H3/t10-,11?,13-/m1/s1
InChIKeyKCNXQJSCOHUORR-IAUSTGCCSA-N
MW259.31 g/mol
LogP3.83
Rot. Bonds2

About (2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine

(2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine (PubChem CID 70903487) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is (2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine.

Molecular Properties

Compound Name(2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
PubChem CID70903487
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name(2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
SMILESCC[C@@H]1CCCN[C@H]1C1C=CC(C(F)(F)F)=CC1
InChIInChI=1S/C14H20F3N/c1-2-10-4-3-9-18-13(10)11-5-7-12(8-6-11)14(15,16)17/h5,7-8,10-11,13,18H,2-4,6,9H2,1H3/t10-,11?,13-/m1/s1
InChIKeyKCNXQJSCOHUORR-IAUSTGCCSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine?
The IUPAC name of (2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine (CID 70903487) is (2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine.
What is the SMILES notation for (2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine?
The canonical SMILES for (2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine is CC[C@@H]1CCCN[C@H]1C1C=CC(C(F)(F)F)=CC1.
What is the InChIKey of (2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine?
The InChIKey is KCNXQJSCOHUORR-IAUSTGCCSA-N. The full InChI is InChI=1S/C14H20F3N/c1-2-10-4-3-9-18-13(10)11-5-7-12(8-6-11)14(15,16)17/h5,7-8,10-11,13,18H,2-4,6,9H2,1H3/t10-,11?,13-/m1/s1.
What are the key properties of (2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine?
(2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine has a molecular weight of 259.31 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine is sourced from PubChem (CID 70903487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).