2,2,2-trifluoro-N-(piperazin-2-ylmethyl)acetamide

C7H12F3N3O — CID 14839584

IUPAC2,2,2-trifluoro-N-(piperazin-2-ylmethyl)acetamide
SMILESO=C(NCC1CNCCN1)C(F)(F)F
InChIInChI=1S/C7H12F3N3O/c8-7(9,10)6(14)13-4-5-3-11-1-2-12-5/h5,11-12H,1-4H2,(H,13,14)
InChIKeyIKURJYCLPGHAHP-UHFFFAOYSA-N
MW211.19 g/mol
LogP-0.77
Rot. Bonds2

About 2,2,2-trifluoro-N-(piperazin-2-ylmethyl)acetamide

2,2,2-trifluoro-N-(piperazin-2-ylmethyl)acetamide (PubChem CID 14839584) has the molecular formula C7H12F3N3O and a molecular weight of 211.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(piperazin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(piperazin-2-ylmethyl)acetamide
PubChem CID14839584
Molecular FormulaC7H12F3N3O
Molecular Weight211.19 g/mol
Exact Mass211.09
IUPAC Name2,2,2-trifluoro-N-(piperazin-2-ylmethyl)acetamide
SMILESO=C(NCC1CNCCN1)C(F)(F)F
InChIInChI=1S/C7H12F3N3O/c8-7(9,10)6(14)13-4-5-3-11-1-2-12-5/h5,11-12H,1-4H2,(H,13,14)
InChIKeyIKURJYCLPGHAHP-UHFFFAOYSA-N
XLogP-0.77
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 87470013
N-(1,4,7,10-tetrazacyclododec-2-ylmethyl)acetamide
CID 101060490
2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide;hydrochloride
CID 14839574
2-phenyl-N-(piperazin-2-ylmethyl)acetamide
CID 151558064
2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride
CID 87481313
2-methyl-N-(piperazin-2-ylmethyl)propan-2-amine
CID 53424715
N-[[(3S,5S)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 87261116
3-[(2S)-piperazin-2-yl]propanoic acid
CID 86334249
2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 62542506
N-[3-(azetidin-3-yl)propyl]-2,2,2-trifluoroacetamide;hydrochloride
CID 87890415
2,2-dimethyl-3-[(2R)-piperazin-2-yl]propanamide
CID 22876500
N-[(2,2-dichlorocyclopropyl)methyl]-2,2,2-trifluoroacetamide
CID 130831642

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(piperazin-2-ylmethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(piperazin-2-ylmethyl)acetamide (CID 14839584) is 2,2,2-trifluoro-N-(piperazin-2-ylmethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(piperazin-2-ylmethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(piperazin-2-ylmethyl)acetamide is O=C(NCC1CNCCN1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(piperazin-2-ylmethyl)acetamide?
The InChIKey is IKURJYCLPGHAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O/c8-7(9,10)6(14)13-4-5-3-11-1-2-12-5/h5,11-12H,1-4H2,(H,13,14).
What are the key properties of 2,2,2-trifluoro-N-(piperazin-2-ylmethyl)acetamide?
2,2,2-trifluoro-N-(piperazin-2-ylmethyl)acetamide has a molecular weight of 211.19 g/mol, XLogP of -0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(piperazin-2-ylmethyl)acetamide is sourced from PubChem (CID 14839584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).