N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C14H25F3N2O — CID 103914544

IUPACN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCOCCC1(CNC2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C14H25F3N2O/c1-20-9-6-13(4-5-13)10-18-12-2-7-19(8-3-12)11-14(15,16)17/h12,18H,2-11H2,1H3
InChIKeyWWXFXWDGYFOTJX-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.42
Rot. Bonds7

About N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 103914544) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID103914544
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCOCCC1(CNC2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C14H25F3N2O/c1-20-9-6-13(4-5-13)10-18-12-2-7-19(8-3-12)11-14(15,16)17/h12,18H,2-11H2,1H3
InChIKeyWWXFXWDGYFOTJX-UHFFFAOYSA-N
XLogP2.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 103914544) is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is COCCC1(CNC2CCN(CC(F)(F)F)CC2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is WWXFXWDGYFOTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-20-9-6-13(4-5-13)10-18-12-2-7-19(8-3-12)11-14(15,16)17/h12,18H,2-11H2,1H3.
What are the key properties of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 294.36 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 103914544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).