[2-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]methanamine

C11H19F3N2 — CID 81004973

IUPAC[2-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]methanamine
SMILESNCC1CCC1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2/c12-11(13,14)9-3-5-16(6-4-9)10-2-1-8(10)7-15/h8-10H,1-7,15H2
InChIKeyDOIVMMYFGHIOIV-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.00
Rot. Bonds2

About [2-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]methanamine

[2-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]methanamine (PubChem CID 81004973) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is [2-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[2-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]methanamine
PubChem CID81004973
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name[2-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]methanamine
SMILESNCC1CCC1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2/c12-11(13,14)9-3-5-16(6-4-9)10-2-1-8(10)7-15/h8-10H,1-7,15H2
InChIKeyDOIVMMYFGHIOIV-UHFFFAOYSA-N
XLogP2.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]methanamine?
The IUPAC name of [2-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]methanamine (CID 81004973) is [2-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]methanamine.
What is the SMILES notation for [2-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]methanamine?
The canonical SMILES for [2-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]methanamine is NCC1CCC1N1CCC(C(F)(F)F)CC1.
What is the InChIKey of [2-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]methanamine?
The InChIKey is DOIVMMYFGHIOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c12-11(13,14)9-3-5-16(6-4-9)10-2-1-8(10)7-15/h8-10H,1-7,15H2.
What are the key properties of [2-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]methanamine?
[2-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]methanamine has a molecular weight of 236.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]methanamine is sourced from PubChem (CID 81004973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).