(2R,6S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethylpiperidin-4-amine

C18H24F6N2 — CID 87152826

IUPAC(2R,6S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethylpiperidin-4-amine
SMILESCC[C@@H]1CC(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H](CC)N1
InChIInChI=1S/C18H24F6N2/c1-3-14-8-16(9-15(4-2)26-14)25-10-11-5-12(17(19,20)21)7-13(6-11)18(22,23)24/h5-7,14-16,25-26H,3-4,8-10H2,1-2H3/t14-,15+,16?
InChIKeyFKHCTMYUUJCUMM-XYPWUTKMSA-N
MW382.39 g/mol
LogP5.12
Rot. Bonds5

About (2R,6S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethylpiperidin-4-amine

(2R,6S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethylpiperidin-4-amine (PubChem CID 87152826) has the molecular formula C18H24F6N2 and a molecular weight of 382.39 g/mol. Its IUPAC name is (2R,6S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethylpiperidin-4-amine.

Molecular Properties

Compound Name(2R,6S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethylpiperidin-4-amine
PubChem CID87152826
Molecular FormulaC18H24F6N2
Molecular Weight382.39 g/mol
Exact Mass382.18
IUPAC Name(2R,6S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethylpiperidin-4-amine
SMILESCC[C@@H]1CC(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H](CC)N1
InChIInChI=1S/C18H24F6N2/c1-3-14-8-16(9-15(4-2)26-14)25-10-11-5-12(17(19,20)21)7-13(6-11)18(22,23)24/h5-7,14-16,25-26H,3-4,8-10H2,1-2H3/t14-,15+,16?
InChIKeyFKHCTMYUUJCUMM-XYPWUTKMSA-N
XLogP5.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethylpiperidin-4-amine?
The IUPAC name of (2R,6S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethylpiperidin-4-amine (CID 87152826) is (2R,6S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethylpiperidin-4-amine.
What is the SMILES notation for (2R,6S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethylpiperidin-4-amine?
The canonical SMILES for (2R,6S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethylpiperidin-4-amine is CC[C@@H]1CC(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H](CC)N1.
What is the InChIKey of (2R,6S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethylpiperidin-4-amine?
The InChIKey is FKHCTMYUUJCUMM-XYPWUTKMSA-N. The full InChI is InChI=1S/C18H24F6N2/c1-3-14-8-16(9-15(4-2)26-14)25-10-11-5-12(17(19,20)21)7-13(6-11)18(22,23)24/h5-7,14-16,25-26H,3-4,8-10H2,1-2H3/t14-,15+,16?.
What are the key properties of (2R,6S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethylpiperidin-4-amine?
(2R,6S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethylpiperidin-4-amine has a molecular weight of 382.39 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethylpiperidin-4-amine is sourced from PubChem (CID 87152826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).