[(2S,3R)-1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methanamine

C14H19F3N2 — CID 98208232

IUPAC[(2S,3R)-1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methanamine
SMILESCN1CCC[C@H](CN)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2/c1-19-8-2-3-11(9-18)13(19)10-4-6-12(7-5-10)14(15,16)17/h4-7,11,13H,2-3,8-9,18H2,1H3/t11-,13?/m1/s1
InChIKeyCDEKEQYZEKYEAI-JTDNENJMSA-N
MW272.31 g/mol
LogP3.05
Rot. Bonds2

About [(2S,3R)-1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methanamine

[(2S,3R)-1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methanamine (PubChem CID 98208232) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is [(2S,3R)-1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[(2S,3R)-1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methanamine
PubChem CID98208232
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name[(2S,3R)-1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methanamine
SMILESCN1CCC[C@H](CN)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2/c1-19-8-2-3-11(9-18)13(19)10-4-6-12(7-5-10)14(15,16)17/h4-7,11,13H,2-3,8-9,18H2,1H3/t11-,13?/m1/s1
InChIKeyCDEKEQYZEKYEAI-JTDNENJMSA-N
XLogP3.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methanamine?
The IUPAC name of [(2S,3R)-1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methanamine (CID 98208232) is [(2S,3R)-1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [(2S,3R)-1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methanamine?
The canonical SMILES for [(2S,3R)-1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methanamine is CN1CCC[C@H](CN)C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [(2S,3R)-1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methanamine?
The InChIKey is CDEKEQYZEKYEAI-JTDNENJMSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-19-8-2-3-11(9-18)13(19)10-4-6-12(7-5-10)14(15,16)17/h4-7,11,13H,2-3,8-9,18H2,1H3/t11-,13?/m1/s1.
What are the key properties of [(2S,3R)-1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methanamine?
[(2S,3R)-1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methanamine has a molecular weight of 272.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 98208232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).