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

C14H21F2N3O — CID 114610326

IUPAC[2-(2-aminoethyl)piperidin-1-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone
SMILESNCCC1CCCCN1C(=O)c1cccn1CC(F)F
InChIInChI=1S/C14H21F2N3O/c15-13(16)10-18-8-3-5-12(18)14(20)19-9-2-1-4-11(19)6-7-17/h3,5,8,11,13H,1-2,4,6-7,9-10,17H2
InChIKeyTXQXIMFCPFFFMU-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.10
Rot. Bonds5

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

[2-(2-aminoethyl)piperidin-1-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone (PubChem CID 114610326) has the molecular formula C14H21F2N3O and a molecular weight of 285.34 g/mol. Its IUPAC name is [2-(2-aminoethyl)piperidin-1-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)piperidin-1-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone
PubChem CID114610326
Molecular FormulaC14H21F2N3O
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name[2-(2-aminoethyl)piperidin-1-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone
SMILESNCCC1CCCCN1C(=O)c1cccn1CC(F)F
InChIInChI=1S/C14H21F2N3O/c15-13(16)10-18-8-3-5-12(18)14(20)19-9-2-1-4-11(19)6-7-17/h3,5,8,11,13H,1-2,4,6-7,9-10,17H2
InChIKeyTXQXIMFCPFFFMU-UHFFFAOYSA-N
XLogP2.10
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-aminoethyl)piperidin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610328
[2-(2-aminoethyl)piperidin-1-yl]-(3-bromo-2-fluorophenyl)methanone
CID 107956136
6-[2-(2-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 113322539
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone
CID 114610630
1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-difluoroethanone
CID 103840913
[2-(2-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 114345040
[2-(aminomethyl)piperidin-1-yl]-(1-cyclobutylpyrrol-2-yl)methanone
CID 114610133
[2-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299399
[2-(2-aminoethyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 63755191
[2-(2-aminoethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 82507381
[2-(2-aminoethyl)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone
CID 107098180
[1-(2,2-difluoroethyl)pyrrol-2-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 114610241

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)piperidin-1-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone?
The IUPAC name of [2-(2-aminoethyl)piperidin-1-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone (CID 114610326) is [2-(2-aminoethyl)piperidin-1-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone.
What is the SMILES notation for [2-(2-aminoethyl)piperidin-1-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone?
The canonical SMILES for [2-(2-aminoethyl)piperidin-1-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone is NCCC1CCCCN1C(=O)c1cccn1CC(F)F.
What is the InChIKey of [2-(2-aminoethyl)piperidin-1-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone?
The InChIKey is TXQXIMFCPFFFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O/c15-13(16)10-18-8-3-5-12(18)14(20)19-9-2-1-4-11(19)6-7-17/h3,5,8,11,13H,1-2,4,6-7,9-10,17H2.
What are the key properties of [2-(2-aminoethyl)piperidin-1-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone?
[2-(2-aminoethyl)piperidin-1-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone has a molecular weight of 285.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)piperidin-1-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone is sourced from PubChem (CID 114610326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).