1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine

C14H19F3N2O — CID 43216489

IUPAC1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
SMILESCN1CCC(NCc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C14H19F3N2O/c1-19-8-6-12(7-9-19)18-10-11-2-4-13(5-3-11)20-14(15,16)17/h2-5,12,18H,6-10H2,1H3
InChIKeyAFSXKUZDEFGNCW-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.77
Rot. Bonds4

About 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine

1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine (PubChem CID 43216489) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
PubChem CID43216489
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
SMILESCN1CCC(NCc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C14H19F3N2O/c1-19-8-6-12(7-9-19)18-10-11-2-4-13(5-3-11)20-14(15,16)17/h2-5,12,18H,6-10H2,1H3
InChIKeyAFSXKUZDEFGNCW-UHFFFAOYSA-N
XLogP2.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 61212894
N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride
CID 126650805
4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-amine
CID 83008958
1-methyl-N-[(4-trimethylsilylphenyl)methyl]piperidin-4-amine
CID 103437564
N-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 115213157
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
2-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenoxy]acetamide
CID 43216337
1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine
CID 43215927
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 28680147
N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 23614409
N-[(4-ethoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
CID 54950112
N-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 62439588

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine (CID 43216489) is 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine is CN1CCC(NCc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine?
The InChIKey is AFSXKUZDEFGNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-19-8-6-12(7-9-19)18-10-11-2-4-13(5-3-11)20-14(15,16)17/h2-5,12,18H,6-10H2,1H3.
What are the key properties of 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine?
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine has a molecular weight of 288.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 43216489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).