[4-ethyl-1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine

C11H21F3N2 — CID 103353076

IUPAC[4-ethyl-1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine
SMILESCCC1CCN(CCC(F)(F)F)C(CN)C1
InChIInChI=1S/C11H21F3N2/c1-2-9-3-5-16(10(7-9)8-15)6-4-11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyNDFZTOVPDYZHFC-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.39
Rot. Bonds4

About [4-ethyl-1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine

[4-ethyl-1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine (PubChem CID 103353076) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is [4-ethyl-1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine
PubChem CID103353076
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name[4-ethyl-1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine
SMILESCCC1CCN(CCC(F)(F)F)C(CN)C1
InChIInChI=1S/C11H21F3N2/c1-2-9-3-5-16(10(7-9)8-15)6-4-11(12,13)14/h9-10H,2-8,15H2,1H3
InChIKeyNDFZTOVPDYZHFC-UHFFFAOYSA-N
XLogP2.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine?
The IUPAC name of [4-ethyl-1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine (CID 103353076) is [4-ethyl-1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-ethyl-1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-ethyl-1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine is CCC1CCN(CCC(F)(F)F)C(CN)C1.
What is the InChIKey of [4-ethyl-1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine?
The InChIKey is NDFZTOVPDYZHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-2-9-3-5-16(10(7-9)8-15)6-4-11(12,13)14/h9-10H,2-8,15H2,1H3.
What are the key properties of [4-ethyl-1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine?
[4-ethyl-1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine has a molecular weight of 238.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 103353076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).