1-propan-2-yl-4-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]piperazine

C16H30F3N3 — CID 99837117

IUPAC1-propan-2-yl-4-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]piperazine
SMILESCC(C)N1CCN(CCCN2CCC[C@H](C(F)(F)F)C2)CC1
InChIInChI=1S/C16H30F3N3/c1-14(2)22-11-9-20(10-12-22)7-4-8-21-6-3-5-15(13-21)16(17,18)19/h14-15H,3-13H2,1-2H3/t15-/m0/s1
InChIKeyMUJXBVUKLMAMGM-HNNXBMFYSA-N
MW321.43 g/mol
LogP2.68
Rot. Bonds5

About 1-propan-2-yl-4-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]piperazine

1-propan-2-yl-4-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]piperazine (PubChem CID 99837117) has the molecular formula C16H30F3N3 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-propan-2-yl-4-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]piperazine.

Molecular Properties

Compound Name1-propan-2-yl-4-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]piperazine
PubChem CID99837117
Molecular FormulaC16H30F3N3
Molecular Weight321.43 g/mol
Exact Mass321.24
IUPAC Name1-propan-2-yl-4-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]piperazine
SMILESCC(C)N1CCN(CCCN2CCC[C@H](C(F)(F)F)C2)CC1
InChIInChI=1S/C16H30F3N3/c1-14(2)22-11-9-20(10-12-22)7-4-8-21-6-3-5-15(13-21)16(17,18)19/h14-15H,3-13H2,1-2H3/t15-/m0/s1
InChIKeyMUJXBVUKLMAMGM-HNNXBMFYSA-N
XLogP2.68
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]piperazine?
The IUPAC name of 1-propan-2-yl-4-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]piperazine (CID 99837117) is 1-propan-2-yl-4-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]piperazine.
What is the SMILES notation for 1-propan-2-yl-4-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]piperazine?
The canonical SMILES for 1-propan-2-yl-4-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]piperazine is CC(C)N1CCN(CCCN2CCC[C@H](C(F)(F)F)C2)CC1.
What is the InChIKey of 1-propan-2-yl-4-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]piperazine?
The InChIKey is MUJXBVUKLMAMGM-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H30F3N3/c1-14(2)22-11-9-20(10-12-22)7-4-8-21-6-3-5-15(13-21)16(17,18)19/h14-15H,3-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-propan-2-yl-4-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]piperazine?
1-propan-2-yl-4-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]piperazine has a molecular weight of 321.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]piperazine is sourced from PubChem (CID 99837117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).