N-[[3-chloro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine

C17H24ClF3N2 — CID 58624347

IUPACN-[[3-chloro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine
SMILESCC(C)CN(Cc1cccc(Cl)c1C(F)(F)F)C1CCNCC1
InChIInChI=1S/C17H24ClF3N2/c1-12(2)10-23(14-6-8-22-9-7-14)11-13-4-3-5-15(18)16(13)17(19,20)21/h3-5,12,14,22H,6-11H2,1-2H3
InChIKeyAQWWYCTUNAROGF-UHFFFAOYSA-N
MW348.84 g/mol
LogP4.57
Rot. Bonds5

About N-[[3-chloro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine

N-[[3-chloro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine (PubChem CID 58624347) has the molecular formula C17H24ClF3N2 and a molecular weight of 348.84 g/mol. Its IUPAC name is N-[[3-chloro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[[3-chloro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine
PubChem CID58624347
Molecular FormulaC17H24ClF3N2
Molecular Weight348.84 g/mol
Exact Mass348.16
IUPAC NameN-[[3-chloro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine
SMILESCC(C)CN(Cc1cccc(Cl)c1C(F)(F)F)C1CCNCC1
InChIInChI=1S/C17H24ClF3N2/c1-12(2)10-23(14-6-8-22-9-7-14)11-13-4-3-5-15(18)16(13)17(19,20)21/h3-5,12,14,22H,6-11H2,1-2H3
InChIKeyAQWWYCTUNAROGF-UHFFFAOYSA-N
XLogP4.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.84
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-[[3-chloro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine (CID 58624347) is N-[[3-chloro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-[[3-chloro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-[[3-chloro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine is CC(C)CN(Cc1cccc(Cl)c1C(F)(F)F)C1CCNCC1.
What is the InChIKey of N-[[3-chloro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine?
The InChIKey is AQWWYCTUNAROGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClF3N2/c1-12(2)10-23(14-6-8-22-9-7-14)11-13-4-3-5-15(18)16(13)17(19,20)21/h3-5,12,14,22H,6-11H2,1-2H3.
What are the key properties of N-[[3-chloro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine?
N-[[3-chloro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine has a molecular weight of 348.84 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 58624347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).