[4-(2-propylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine

C16H23F3N2 — CID 83044639

IUPAC[4-(2-propylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine
SMILESCCCC1CCCCN1c1ccc(CN)cc1C(F)(F)F
InChIInChI=1S/C16H23F3N2/c1-2-5-13-6-3-4-9-21(13)15-8-7-12(11-20)10-14(15)16(17,18)19/h7-8,10,13H,2-6,9,11,20H2,1H3
InChIKeyHPOZOONBHORLJC-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.32
Rot. Bonds4

About [4-(2-propylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine

[4-(2-propylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 83044639) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is [4-(2-propylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2-propylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine
PubChem CID83044639
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name[4-(2-propylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine
SMILESCCCC1CCCCN1c1ccc(CN)cc1C(F)(F)F
InChIInChI=1S/C16H23F3N2/c1-2-5-13-6-3-4-9-21(13)15-8-7-12(11-20)10-14(15)16(17,18)19/h7-8,10,13H,2-6,9,11,20H2,1H3
InChIKeyHPOZOONBHORLJC-UHFFFAOYSA-N
XLogP4.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]methanamine
CID 83053330
1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2-ethylpiperidine
CID 107079906
2-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine
CID 65484017
1-[4-(bromomethyl)-2-fluorophenyl]-2-propylpiperidine
CID 107084939
[3-bromo-4-(2-ethylazepan-1-yl)phenyl]methanamine
CID 104688915
[1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol
CID 61406388
N-[[3-fluoro-4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 83045538
1-[3-methyl-4-(2-propylpiperidin-1-yl)phenyl]butan-2-amine
CID 83045785
[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine
CID 79016220
1-[3-chloro-4-(2-propylpiperidin-1-yl)phenyl]butan-2-amine
CID 83046686
3-fluoro-4-(2-propylpiperidin-1-yl)benzonitrile
CID 83056403
2,3-difluoro-4-(2-propylpiperidin-1-yl)benzenecarbothioamide
CID 107935188

Frequently Asked Questions

What is the IUPAC name of [4-(2-propylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-(2-propylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine (CID 83044639) is [4-(2-propylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-(2-propylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-(2-propylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine is CCCC1CCCCN1c1ccc(CN)cc1C(F)(F)F.
What is the InChIKey of [4-(2-propylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is HPOZOONBHORLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-2-5-13-6-3-4-9-21(13)15-8-7-12(11-20)10-14(15)16(17,18)19/h7-8,10,13H,2-6,9,11,20H2,1H3.
What are the key properties of [4-(2-propylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine?
[4-(2-propylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 300.37 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-propylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 83044639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).