N-methyl-1-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]methanamine

C14H20F3N3 — CID 106906779

IUPACN-methyl-1-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]methanamine
SMILESCNCc1cccc(CN2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C14H20F3N3/c1-18-9-12-3-2-4-13(19-12)10-20-7-5-11(6-8-20)14(15,16)17/h2-4,11,18H,5-10H2,1H3
InChIKeyYURPTPMMLFWYAJ-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.58
Rot. Bonds4

About N-methyl-1-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]methanamine

N-methyl-1-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]methanamine (PubChem CID 106906779) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-methyl-1-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]methanamine
PubChem CID106906779
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC NameN-methyl-1-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]methanamine
SMILESCNCc1cccc(CN2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C14H20F3N3/c1-18-9-12-3-2-4-13(19-12)10-20-7-5-11(6-8-20)14(15,16)17/h2-4,11,18H,5-10H2,1H3
InChIKeyYURPTPMMLFWYAJ-UHFFFAOYSA-N
XLogP2.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]methanamine (CID 106906779) is N-methyl-1-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]methanamine is CNCc1cccc(CN2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of N-methyl-1-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]methanamine?
The InChIKey is YURPTPMMLFWYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-18-9-12-3-2-4-13(19-12)10-20-7-5-11(6-8-20)14(15,16)17/h2-4,11,18H,5-10H2,1H3.
What are the key properties of N-methyl-1-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]methanamine?
N-methyl-1-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]methanamine has a molecular weight of 287.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 106906779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).