1-(piperidin-4-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine

C12H22F3N3 — CID 62967874

IUPAC1-(piperidin-4-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C12H22F3N3/c13-12(14,15)10-18-7-5-17(6-8-18)9-11-1-3-16-4-2-11/h11,16H,1-10H2
InChIKeySYKLTFXTWVRDCQ-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.17
Rot. Bonds3

About 1-(piperidin-4-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine

1-(piperidin-4-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 62967874) has the molecular formula C12H22F3N3 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(piperidin-4-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-(piperidin-4-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID62967874
Molecular FormulaC12H22F3N3
Molecular Weight265.32 g/mol
Exact Mass265.18
IUPAC Name1-(piperidin-4-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C12H22F3N3/c13-12(14,15)10-18-7-5-17(6-8-18)9-11-1-3-16-4-2-11/h11,16H,1-10H2
InChIKeySYKLTFXTWVRDCQ-UHFFFAOYSA-N
XLogP1.17
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
1-piperidin-4-ylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine
CID 62970916
1-[(4-ethylpiperidin-2-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 114431092
1-(pyrrolidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 55142508
piperidin-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61259794
1-(piperidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 55139612
4-(piperidin-4-ylmethyl)piperazine-1-sulfonamide
CID 119929956
N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 119931699
1-(piperidin-4-ylmethyl)piperidin-4-one
CID 115020783
2-(cyclopropylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185712
4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]piperidine
CID 164662923

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-4-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-(piperidin-4-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine (CID 62967874) is 1-(piperidin-4-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-(piperidin-4-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-(piperidin-4-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine is FC(F)(F)CN1CCN(CC2CCNCC2)CC1.
What is the InChIKey of 1-(piperidin-4-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is SYKLTFXTWVRDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3/c13-12(14,15)10-18-7-5-17(6-8-18)9-11-1-3-16-4-2-11/h11,16H,1-10H2.
What are the key properties of 1-(piperidin-4-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine?
1-(piperidin-4-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 265.32 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-4-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 62967874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).