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

C12H20F3N3O — CID 61259978

IUPACpiperidin-2-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCCN1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H20F3N3O/c13-12(14,15)9-17-5-7-18(8-6-17)11(19)10-3-1-2-4-16-10/h10,16H,1-9H2
InChIKeyKPZAJMHGIILMEK-UHFFFAOYSA-N
MW279.31 g/mol
LogP0.83
Rot. Bonds2

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

piperidin-2-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 61259978) has the molecular formula C12H20F3N3O and a molecular weight of 279.31 g/mol. Its IUPAC name is piperidin-2-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namepiperidin-2-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID61259978
Molecular FormulaC12H20F3N3O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC Namepiperidin-2-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCCN1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H20F3N3O/c13-12(14,15)9-17-5-7-18(8-6-17)11(19)10-3-1-2-4-16-10/h10,16H,1-9H2
InChIKeyKPZAJMHGIILMEK-UHFFFAOYSA-N
XLogP0.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-hydroxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 43501381
[4-(2-methylpropyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 103813273
[(2R)-piperidin-2-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 93375251
[(2S)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119707264
[(2R)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119707243
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
azepan-2-yl-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 64562668
[4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 119838507
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
(4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119032238

Frequently Asked Questions

What is the IUPAC name of piperidin-2-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of piperidin-2-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 61259978) is piperidin-2-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for piperidin-2-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for piperidin-2-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is O=C(C1CCCCN1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of piperidin-2-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is KPZAJMHGIILMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O/c13-12(14,15)9-17-5-7-18(8-6-17)11(19)10-3-1-2-4-16-10/h10,16H,1-9H2.
What are the key properties of piperidin-2-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
piperidin-2-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 279.31 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-2-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 61259978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).