4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexan-1-amine

C20H29F3N2O — CID 68903645

IUPAC4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCN2CCC(Oc3cccc(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C20H29F3N2O/c21-20(22,23)16-2-1-3-19(14-16)26-18-9-12-25(13-10-18)11-8-15-4-6-17(24)7-5-15/h1-3,14-15,17-18H,4-13,24H2
InChIKeyMSTBAJISQORGMO-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.46
Rot. Bonds5

About 4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexan-1-amine

4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexan-1-amine (PubChem CID 68903645) has the molecular formula C20H29F3N2O and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexan-1-amine
PubChem CID68903645
Molecular FormulaC20H29F3N2O
Molecular Weight370.46 g/mol
Exact Mass370.22
IUPAC Name4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCN2CCC(Oc3cccc(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C20H29F3N2O/c21-20(22,23)16-2-1-3-19(14-16)26-18-9-12-25(13-10-18)11-8-15-4-6-17(24)7-5-15/h1-3,14-15,17-18H,4-13,24H2
InChIKeyMSTBAJISQORGMO-UHFFFAOYSA-N
XLogP4.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyloxy-3-(trifluoromethyl)benzene
CID 124519367
2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591548
2-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]pyridine
CID 56886415
4-[2-[4-(2,4,6-trifluorophenoxy)piperidin-1-yl]ethyl]cyclohexan-1-amine
CID 68508942
4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride
CID 117068516
4-[3-(trifluoromethyl)phenoxy]oxane
CID 53217062
2-amino-2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]acetaldehyde;hydrochloride
CID 87187234
4-benzyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 23294464
N-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 12999550
(2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one
CID 70722941
4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-amine
CID 18460866
1-(2-cyclohexylethyl)-4-(4-fluorophenoxy)piperidine
CID 174665920

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexan-1-amine?
The IUPAC name of 4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexan-1-amine (CID 68903645) is 4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexan-1-amine is NC1CCC(CCN2CCC(Oc3cccc(C(F)(F)F)c3)CC2)CC1.
What is the InChIKey of 4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexan-1-amine?
The InChIKey is MSTBAJISQORGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F3N2O/c21-20(22,23)16-2-1-3-19(14-16)26-18-9-12-25(13-10-18)11-8-15-4-6-17(24)7-5-15/h1-3,14-15,17-18H,4-13,24H2.
What are the key properties of 4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexan-1-amine?
4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexan-1-amine has a molecular weight of 370.46 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 68903645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).