N-(2-propan-2-yloxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

C18H27F3N2O — CID 58624369

IUPACN-(2-propan-2-yloxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESCC(C)OCCN(Cc1ccccc1C(F)(F)F)C1CCNCC1
InChIInChI=1S/C18H27F3N2O/c1-14(2)24-12-11-23(16-7-9-22-10-8-16)13-15-5-3-4-6-17(15)18(19,20)21/h3-6,14,16,22H,7-13H2,1-2H3
InChIKeyANLZKDJAWZUAOK-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.68
Rot. Bonds7

About N-(2-propan-2-yloxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

N-(2-propan-2-yloxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (PubChem CID 58624369) has the molecular formula C18H27F3N2O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(2-propan-2-yloxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(2-propan-2-yloxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
PubChem CID58624369
Molecular FormulaC18H27F3N2O
Molecular Weight344.42 g/mol
Exact Mass344.21
IUPAC NameN-(2-propan-2-yloxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESCC(C)OCCN(Cc1ccccc1C(F)(F)F)C1CCNCC1
InChIInChI=1S/C18H27F3N2O/c1-14(2)24-12-11-23(16-7-9-22-10-8-16)13-15-5-3-4-6-17(15)18(19,20)21/h3-6,14,16,22H,7-13H2,1-2H3
InChIKeyANLZKDJAWZUAOK-UHFFFAOYSA-N
XLogP3.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of N-(2-propan-2-yloxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (CID 58624369) is N-(2-propan-2-yloxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for N-(2-propan-2-yloxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for N-(2-propan-2-yloxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is CC(C)OCCN(Cc1ccccc1C(F)(F)F)C1CCNCC1.
What is the InChIKey of N-(2-propan-2-yloxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The InChIKey is ANLZKDJAWZUAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N2O/c1-14(2)24-12-11-23(16-7-9-22-10-8-16)13-15-5-3-4-6-17(15)18(19,20)21/h3-6,14,16,22H,7-13H2,1-2H3.
What are the key properties of N-(2-propan-2-yloxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
N-(2-propan-2-yloxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine has a molecular weight of 344.42 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 58624369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).