[4-(2-aminoethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone

C14H20F3N3O — CID 114610353

IUPAC[4-(2-aminoethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone
SMILESNCCC1CCN(C(=O)c2cccn2CC(F)(F)F)CC1
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)10-20-7-1-2-12(20)13(21)19-8-4-11(3-6-18)5-9-19/h1-2,7,11H,3-6,8-10,18H2
InChIKeySVFTVRMYKZBHKC-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.25
Rot. Bonds4

About [4-(2-aminoethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone

[4-(2-aminoethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone (PubChem CID 114610353) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is [4-(2-aminoethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone
PubChem CID114610353
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name[4-(2-aminoethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone
SMILESNCCC1CCN(C(=O)c2cccn2CC(F)(F)F)CC1
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)10-20-7-1-2-12(20)13(21)19-8-4-11(3-6-18)5-9-19/h1-2,7,11H,3-6,8-10,18H2
InChIKeySVFTVRMYKZBHKC-UHFFFAOYSA-N
XLogP2.25
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3-methylpiperidin-1-yl)-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone
CID 114610527
(3-amino-4-methylpiperidin-1-yl)-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone
CID 114610325
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone
CID 114610611
[3-(1-aminoethyl)pyrrolidin-1-yl]-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone
CID 114610644
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone
CID 114610462
[5-(aminomethyl)-2-methylpiperidin-1-yl]-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone
CID 114610349
4-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 114608850
(1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43638941
[4-(ethylaminomethyl)piperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone
CID 80552636
(2R)-1-[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]piperidine-2-carboxylic acid
CID 104939954
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylpyrrol-2-yl)methanone
CID 62061622
4-[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]morpholine-3-carboxylic acid
CID 114608930

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone?
The IUPAC name of [4-(2-aminoethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone (CID 114610353) is [4-(2-aminoethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone.
What is the SMILES notation for [4-(2-aminoethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone?
The canonical SMILES for [4-(2-aminoethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone is NCCC1CCN(C(=O)c2cccn2CC(F)(F)F)CC1.
What is the InChIKey of [4-(2-aminoethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone?
The InChIKey is SVFTVRMYKZBHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c15-14(16,17)10-20-7-1-2-12(20)13(21)19-8-4-11(3-6-18)5-9-19/h1-2,7,11H,3-6,8-10,18H2.
What are the key properties of [4-(2-aminoethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone?
[4-(2-aminoethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone has a molecular weight of 303.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone is sourced from PubChem (CID 114610353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).