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

C15H21F3N2O — CID 79737048

IUPAC3-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]oxypropan-1-amine
SMILESNCCCOC1CCN(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2O/c16-15(17,18)13-4-1-2-5-14(13)20-9-6-12(7-10-20)21-11-3-8-19/h1-2,4-5,12H,3,6-11,19H2
InChIKeyDDRBHQJCJJVBLC-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.04
Rot. Bonds5

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

3-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]oxypropan-1-amine (PubChem CID 79737048) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]oxypropan-1-amine
PubChem CID79737048
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name3-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]oxypropan-1-amine
SMILESNCCCOC1CCN(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2O/c16-15(17,18)13-4-1-2-5-14(13)20-9-6-12(7-10-20)21-11-3-8-19/h1-2,4-5,12H,3,6-11,19H2
InChIKeyDDRBHQJCJJVBLC-UHFFFAOYSA-N
XLogP3.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(3-aminopropoxy)piperidin-1-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 86778691
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-[2-(trifluoromethyl)phenyl]butan-1-one;hydrochloride
CID 119664312
1-[2-(trifluoromethyl)phenyl]piperidine-4-carbonitrile
CID 117003363
2-[1-[4-amino-2-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanol
CID 82011418
2-[4-(2-chloroethoxy)piperidin-1-yl]-3-(trifluoromethyl)pyridine
CID 82701748
3-(1-quinoxalin-2-ylpiperidin-4-yl)oxypropan-1-amine
CID 79737038
3-[1-(2-methyl-5-nitrophenyl)piperidin-4-yl]oxypropan-1-amine
CID 79736390
[4-(3-aminopropoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 119661915
3-[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-yl]oxypropan-1-amine
CID 79737349
3-[1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 119992802
3-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992794
2-[1-(2-amino-3-fluorophenyl)piperidin-4-yl]oxyethanol
CID 82695538

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]oxypropan-1-amine (CID 79737048) is 3-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]oxypropan-1-amine is NCCCOC1CCN(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 3-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]oxypropan-1-amine?
The InChIKey is DDRBHQJCJJVBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c16-15(17,18)13-4-1-2-5-14(13)20-9-6-12(7-10-20)21-11-3-8-19/h1-2,4-5,12H,3,6-11,19H2.
What are the key properties of 3-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]oxypropan-1-amine?
3-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]oxypropan-1-amine has a molecular weight of 302.34 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 79737048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).