(4-amino-1-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C14H21F3N2O — CID 178183828

IUPAC(4-amino-1-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESNC12CCC(C(=O)N3CCCC(C(F)(F)F)C3)(CC1)C2
InChIInChI=1S/C14H21F3N2O/c15-14(16,17)10-2-1-7-19(8-10)11(20)12-3-5-13(18,9-12)6-4-12/h10H,1-9,18H2
InChIKeyRKNYIYYBVLVZFN-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.45
Rot. Bonds1

About (4-amino-1-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(4-amino-1-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 178183828) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is (4-amino-1-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID178183828
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name(4-amino-1-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESNC12CCC(C(=O)N3CCCC(C(F)(F)F)C3)(CC1)C2
InChIInChI=1S/C14H21F3N2O/c15-14(16,17)10-2-1-7-19(8-10)11(20)12-3-5-13(18,9-12)6-4-12/h10H,1-9,18H2
InChIKeyRKNYIYYBVLVZFN-UHFFFAOYSA-N
XLogP2.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-4-methylcyclohexyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 115441663
2-(1-aminocyclopentyl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 64684265
1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 60655671
(3-methylpiperidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63131212
2,2,2-trifluoro-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62733731
(3S)-3-(trifluoromethyl)piperidine-1-carbonyl chloride
CID 165491183
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 116656471
(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 120918557
(3-ethylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63140126
(2-propylpyrrolidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 106974507
2-amino-3-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 54936811
(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 120918558

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-amino-1-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 178183828) is (4-amino-1-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-1-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-1-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is NC12CCC(C(=O)N3CCCC(C(F)(F)F)C3)(CC1)C2.
What is the InChIKey of (4-amino-1-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is RKNYIYYBVLVZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c15-14(16,17)10-2-1-7-19(8-10)11(20)12-3-5-13(18,9-12)6-4-12/h10H,1-9,18H2.
What are the key properties of (4-amino-1-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(4-amino-1-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 290.33 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 178183828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).