3-[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]propan-1-amine

C17H25F3N2 — CID 170867728

IUPAC3-[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]propan-1-amine
SMILESNCCCc1cccc(CCN2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C17H25F3N2/c18-17(19,20)16-7-11-22(12-8-16)10-6-15-4-1-3-14(13-15)5-2-9-21/h1,3-4,13,16H,2,5-12,21H2
InChIKeyOGFOZAHEOLNBJA-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.39
Rot. Bonds6

About 3-[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]propan-1-amine

3-[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]propan-1-amine (PubChem CID 170867728) has the molecular formula C17H25F3N2 and a molecular weight of 314.40 g/mol. Its IUPAC name is 3-[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]propan-1-amine
PubChem CID170867728
Molecular FormulaC17H25F3N2
Molecular Weight314.40 g/mol
Exact Mass314.20
IUPAC Name3-[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]propan-1-amine
SMILESNCCCc1cccc(CCN2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C17H25F3N2/c18-17(19,20)16-7-11-22(12-8-16)10-6-15-4-1-3-14(13-15)5-2-9-21/h1,3-4,13,16H,2,5-12,21H2
InChIKeyOGFOZAHEOLNBJA-UHFFFAOYSA-N
XLogP3.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[4-(trifluoromethyl)piperidin-1-yl]propyl]aniline
CID 115342194
3-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine
CID 117311503
benzyl N'-[[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]methylideneamino]carbamimidothioate
CID 168613585
ethyl 5-[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]-2H-triazole-4-carboxylate
CID 169401666
3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine
CID 117337018
4-methyl-N-[[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168619429
3-[3-[3-[3-(3-aminopropyl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 71678762
N-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]aniline
CID 71219351
3-[3-(4-methylpiperidin-1-yl)propyl]aniline
CID 28721152
2-[3-fluoro-5-[4-(trifluoromethyl)piperidin-1-yl]phenyl]ethanamine
CID 106532877
3-[3-(4-ethylpiperidin-1-yl)propyl]aniline
CID 113290630
3-(trifluoromethyl)-1-[[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 71901278

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]propan-1-amine?
The IUPAC name of 3-[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]propan-1-amine (CID 170867728) is 3-[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]propan-1-amine?
The canonical SMILES for 3-[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]propan-1-amine is NCCCc1cccc(CCN2CCC(C(F)(F)F)CC2)c1.
What is the InChIKey of 3-[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]propan-1-amine?
The InChIKey is OGFOZAHEOLNBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2/c18-17(19,20)16-7-11-22(12-8-16)10-6-15-4-1-3-14(13-15)5-2-9-21/h1,3-4,13,16H,2,5-12,21H2.
What are the key properties of 3-[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]propan-1-amine?
3-[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]propan-1-amine has a molecular weight of 314.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]propan-1-amine is sourced from PubChem (CID 170867728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).