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

C15H27F3N2O — CID 79736167

IUPAC3-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-4-yl]oxypropan-1-amine
SMILESNCCCOC1CCN(C2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C15H27F3N2O/c16-15(17,18)12-3-1-4-13(11-12)20-8-5-14(6-9-20)21-10-2-7-19/h12-14H,1-11,19H2
InChIKeyBYWOCBYQIOOVNM-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.94
Rot. Bonds5

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

3-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-4-yl]oxypropan-1-amine (PubChem CID 79736167) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 3-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-4-yl]oxypropan-1-amine
PubChem CID79736167
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name3-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-4-yl]oxypropan-1-amine
SMILESNCCCOC1CCN(C2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C15H27F3N2O/c16-15(17,18)12-3-1-4-13(11-12)20-8-5-14(6-9-20)21-10-2-7-19/h12-14H,1-11,19H2
InChIKeyBYWOCBYQIOOVNM-UHFFFAOYSA-N
XLogP2.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.94
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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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-4-yl]oxypropan-1-amine (CID 79736167) is 3-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-4-yl]oxypropan-1-amine is NCCCOC1CCN(C2CCCC(C(F)(F)F)C2)CC1.
What is the InChIKey of 3-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-4-yl]oxypropan-1-amine?
The InChIKey is BYWOCBYQIOOVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c16-15(17,18)12-3-1-4-13(11-12)20-8-5-14(6-9-20)21-10-2-7-19/h12-14H,1-11,19H2.
What are the key properties of 3-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-4-yl]oxypropan-1-amine?
3-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-4-yl]oxypropan-1-amine has a molecular weight of 308.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(trifluoromethyl)cyclohexyl]piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 79736167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).