1-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine

C12H21F3N2 — CID 79843616

IUPAC1-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine
SMILESNC1(CCN2CCCC(C(F)(F)F)C2)CCC1
InChIInChI=1S/C12H21F3N2/c13-12(14,15)10-3-1-7-17(9-10)8-6-11(16)4-2-5-11/h10H,1-9,16H2
InChIKeyJMFCJKMDPIWTGZ-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.53
Rot. Bonds3

About 1-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine

1-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine (PubChem CID 79843616) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine
PubChem CID79843616
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name1-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine
SMILESNC1(CCN2CCCC(C(F)(F)F)C2)CCC1
InChIInChI=1S/C12H21F3N2/c13-12(14,15)10-3-1-7-17(9-10)8-6-11(16)4-2-5-11/h10H,1-9,16H2
InChIKeyJMFCJKMDPIWTGZ-UHFFFAOYSA-N
XLogP2.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine?
The IUPAC name of 1-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine (CID 79843616) is 1-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine is NC1(CCN2CCCC(C(F)(F)F)C2)CCC1.
What is the InChIKey of 1-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine?
The InChIKey is JMFCJKMDPIWTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c13-12(14,15)10-3-1-7-17(9-10)8-6-11(16)4-2-5-11/h10H,1-9,16H2.
What are the key properties of 1-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine?
1-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine has a molecular weight of 250.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine is sourced from PubChem (CID 79843616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).