1-cyclopropyl-N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-amine

C19H27F3N2O2 — CID 119106660

IUPAC1-cyclopropyl-N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-amine
SMILESCCOc1cc(CNC2CCN(C3CC3)CC2)ccc1OCC(F)(F)F
InChIInChI=1S/C19H27F3N2O2/c1-2-25-18-11-14(3-6-17(18)26-13-19(20,21)22)12-23-15-7-9-24(10-8-15)16-4-5-16/h3,6,11,15-16,23H,2,4-5,7-10,12-13H2,1H3
InChIKeyCINIMLWIUGOSPZ-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.74
Rot. Bonds8

About 1-cyclopropyl-N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-amine

1-cyclopropyl-N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-amine (PubChem CID 119106660) has the molecular formula C19H27F3N2O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-amine
PubChem CID119106660
Molecular FormulaC19H27F3N2O2
Molecular Weight372.43 g/mol
Exact Mass372.20
IUPAC Name1-cyclopropyl-N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-amine
SMILESCCOc1cc(CNC2CCN(C3CC3)CC2)ccc1OCC(F)(F)F
InChIInChI=1S/C19H27F3N2O2/c1-2-25-18-11-14(3-6-17(18)26-13-19(20,21)22)12-23-15-7-9-24(10-8-15)16-4-5-16/h3,6,11,15-16,23H,2,4-5,7-10,12-13H2,1H3
InChIKeyCINIMLWIUGOSPZ-UHFFFAOYSA-N
XLogP3.74
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-amine with MolForge

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Related Compounds

N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 119106703
2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]cyclohexan-1-ol
CID 111332801
N,1-bis[(3,4-diethoxyphenyl)methyl]pyrrolidin-3-amine
CID 18914019
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43215907
N-[[3-cyclopropyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclobutanamine
CID 170995014
1-cyclopropyl-N-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-amine
CID 43234267
1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine
CID 124690614
N-[[4-[(E)-but-2-enoxy]-3-ethoxyphenyl]methyl]cyclopropanamine
CID 60881654
N-[(3-ethoxy-4-hexoxyphenyl)methyl]cyclopropanamine
CID 43278209
N-[[4-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]methyl]cyclopropanamine
CID 79168172
[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 28561734
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 119106747

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-cyclopropyl-N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-amine (CID 119106660) is 1-cyclopropyl-N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-cyclopropyl-N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-cyclopropyl-N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-amine is CCOc1cc(CNC2CCN(C3CC3)CC2)ccc1OCC(F)(F)F.
What is the InChIKey of 1-cyclopropyl-N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-amine?
The InChIKey is CINIMLWIUGOSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O2/c1-2-25-18-11-14(3-6-17(18)26-13-19(20,21)22)12-23-15-7-9-24(10-8-15)16-4-5-16/h3,6,11,15-16,23H,2,4-5,7-10,12-13H2,1H3.
What are the key properties of 1-cyclopropyl-N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-amine?
1-cyclopropyl-N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-amine has a molecular weight of 372.43 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 119106660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).