N-[(1R)-1-cyclopentylethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C14H25F3N2 — CID 81396630

IUPACN-[(1R)-1-cyclopentylethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESC[C@@H](NC1CCN(CC(F)(F)F)CC1)C1CCCC1
InChIInChI=1S/C14H25F3N2/c1-11(12-4-2-3-5-12)18-13-6-8-19(9-7-13)10-14(15,16)17/h11-13,18H,2-10H2,1H3/t11-/m1/s1
InChIKeyWQDJASJCVIATIC-LLVKDONJSA-N
MW278.36 g/mol
LogP3.18
Rot. Bonds4

About N-[(1R)-1-cyclopentylethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[(1R)-1-cyclopentylethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 81396630) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(1R)-1-cyclopentylethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-cyclopentylethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID81396630
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC NameN-[(1R)-1-cyclopentylethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESC[C@@H](NC1CCN(CC(F)(F)F)CC1)C1CCCC1
InChIInChI=1S/C14H25F3N2/c1-11(12-4-2-3-5-12)18-13-6-8-19(9-7-13)10-14(15,16)17/h11-13,18H,2-10H2,1H3/t11-/m1/s1
InChIKeyWQDJASJCVIATIC-LLVKDONJSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopentylethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[(1R)-1-cyclopentylethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 81396630) is N-[(1R)-1-cyclopentylethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[(1R)-1-cyclopentylethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[(1R)-1-cyclopentylethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is C[C@@H](NC1CCN(CC(F)(F)F)CC1)C1CCCC1.
What is the InChIKey of N-[(1R)-1-cyclopentylethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is WQDJASJCVIATIC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-11(12-4-2-3-5-12)18-13-6-8-19(9-7-13)10-14(15,16)17/h11-13,18H,2-10H2,1H3/t11-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopentylethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[(1R)-1-cyclopentylethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 278.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopentylethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 81396630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).