[1-[(3-methoxyphenyl)methyl]-4-(trifluoromethyl)piperidin-3-yl]methanamine

C15H21F3N2O — CID 166244914

IUPAC[1-[(3-methoxyphenyl)methyl]-4-(trifluoromethyl)piperidin-3-yl]methanamine
SMILESCOc1cccc(CN2CCC(C(F)(F)F)C(CN)C2)c1
InChIInChI=1S/C15H21F3N2O/c1-21-13-4-2-3-11(7-13)9-20-6-5-14(15(16,17)18)12(8-19)10-20/h2-4,7,12,14H,5-6,8-10,19H2,1H3
InChIKeyQAOMQCJLFSQQBB-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.65
Rot. Bonds4

About [1-[(3-methoxyphenyl)methyl]-4-(trifluoromethyl)piperidin-3-yl]methanamine

[1-[(3-methoxyphenyl)methyl]-4-(trifluoromethyl)piperidin-3-yl]methanamine (PubChem CID 166244914) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is [1-[(3-methoxyphenyl)methyl]-4-(trifluoromethyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-methoxyphenyl)methyl]-4-(trifluoromethyl)piperidin-3-yl]methanamine
PubChem CID166244914
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name[1-[(3-methoxyphenyl)methyl]-4-(trifluoromethyl)piperidin-3-yl]methanamine
SMILESCOc1cccc(CN2CCC(C(F)(F)F)C(CN)C2)c1
InChIInChI=1S/C15H21F3N2O/c1-21-13-4-2-3-11(7-13)9-20-6-5-14(15(16,17)18)12(8-19)10-20/h2-4,7,12,14H,5-6,8-10,19H2,1H3
InChIKeyQAOMQCJLFSQQBB-UHFFFAOYSA-N
XLogP2.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propan-2-ol
CID 172900058
N,3-diethyl-1-[(3-methoxyphenyl)methyl]piperidin-4-amine
CID 114507529
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
1-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-amine
CID 83980975
3-(2-bromoethyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine
CID 114800301
4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 107104811
1-[(3-methoxyphenyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918664
1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 103840745
3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732597

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methoxyphenyl)methyl]-4-(trifluoromethyl)piperidin-3-yl]methanamine?
The IUPAC name of [1-[(3-methoxyphenyl)methyl]-4-(trifluoromethyl)piperidin-3-yl]methanamine (CID 166244914) is [1-[(3-methoxyphenyl)methyl]-4-(trifluoromethyl)piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[(3-methoxyphenyl)methyl]-4-(trifluoromethyl)piperidin-3-yl]methanamine?
The canonical SMILES for [1-[(3-methoxyphenyl)methyl]-4-(trifluoromethyl)piperidin-3-yl]methanamine is COc1cccc(CN2CCC(C(F)(F)F)C(CN)C2)c1.
What is the InChIKey of [1-[(3-methoxyphenyl)methyl]-4-(trifluoromethyl)piperidin-3-yl]methanamine?
The InChIKey is QAOMQCJLFSQQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-21-13-4-2-3-11(7-13)9-20-6-5-14(15(16,17)18)12(8-19)10-20/h2-4,7,12,14H,5-6,8-10,19H2,1H3.
What are the key properties of [1-[(3-methoxyphenyl)methyl]-4-(trifluoromethyl)piperidin-3-yl]methanamine?
[1-[(3-methoxyphenyl)methyl]-4-(trifluoromethyl)piperidin-3-yl]methanamine has a molecular weight of 302.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methoxyphenyl)methyl]-4-(trifluoromethyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 166244914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).