(2S)-1-propan-2-yl-2-(trifluoromethyl)-3-[2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]propyl]piperidine

C18H30F6N2 — CID 146630100

IUPAC(2S)-1-propan-2-yl-2-(trifluoromethyl)-3-[2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]propyl]piperidine
SMILESCC(C)N1CCCC(CC(C)N2CCCC[C@@H]2C(F)(F)F)[C@H]1C(F)(F)F
InChIInChI=1S/C18H30F6N2/c1-12(2)25-10-6-7-14(16(25)18(22,23)24)11-13(3)26-9-5-4-8-15(26)17(19,20)21/h12-16H,4-11H2,1-3H3/t13?,14?,15-,16+/m1/s1
InChIKeyAERLKGHYCUWERY-FJBKBRRZSA-N
MW388.44 g/mol
LogP5.23
Rot. Bonds4

About (2S)-1-propan-2-yl-2-(trifluoromethyl)-3-[2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]propyl]piperidine

(2S)-1-propan-2-yl-2-(trifluoromethyl)-3-[2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]propyl]piperidine (PubChem CID 146630100) has the molecular formula C18H30F6N2 and a molecular weight of 388.44 g/mol. Its IUPAC name is (2S)-1-propan-2-yl-2-(trifluoromethyl)-3-[2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]propyl]piperidine.

Molecular Properties

Compound Name(2S)-1-propan-2-yl-2-(trifluoromethyl)-3-[2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]propyl]piperidine
PubChem CID146630100
Molecular FormulaC18H30F6N2
Molecular Weight388.44 g/mol
Exact Mass388.23
IUPAC Name(2S)-1-propan-2-yl-2-(trifluoromethyl)-3-[2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]propyl]piperidine
SMILESCC(C)N1CCCC(CC(C)N2CCCC[C@@H]2C(F)(F)F)[C@H]1C(F)(F)F
InChIInChI=1S/C18H30F6N2/c1-12(2)25-10-6-7-14(16(25)18(22,23)24)11-13(3)26-9-5-4-8-15(26)17(19,20)21/h12-16H,4-11H2,1-3H3/t13?,14?,15-,16+/m1/s1
InChIKeyAERLKGHYCUWERY-FJBKBRRZSA-N
XLogP5.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.44
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-propan-2-yl-2-(trifluoromethyl)-3-[2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]propyl]piperidine?
The IUPAC name of (2S)-1-propan-2-yl-2-(trifluoromethyl)-3-[2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]propyl]piperidine (CID 146630100) is (2S)-1-propan-2-yl-2-(trifluoromethyl)-3-[2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]propyl]piperidine.
What is the SMILES notation for (2S)-1-propan-2-yl-2-(trifluoromethyl)-3-[2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]propyl]piperidine?
The canonical SMILES for (2S)-1-propan-2-yl-2-(trifluoromethyl)-3-[2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]propyl]piperidine is CC(C)N1CCCC(CC(C)N2CCCC[C@@H]2C(F)(F)F)[C@H]1C(F)(F)F.
What is the InChIKey of (2S)-1-propan-2-yl-2-(trifluoromethyl)-3-[2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]propyl]piperidine?
The InChIKey is AERLKGHYCUWERY-FJBKBRRZSA-N. The full InChI is InChI=1S/C18H30F6N2/c1-12(2)25-10-6-7-14(16(25)18(22,23)24)11-13(3)26-9-5-4-8-15(26)17(19,20)21/h12-16H,4-11H2,1-3H3/t13?,14?,15-,16+/m1/s1.
What are the key properties of (2S)-1-propan-2-yl-2-(trifluoromethyl)-3-[2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]propyl]piperidine?
(2S)-1-propan-2-yl-2-(trifluoromethyl)-3-[2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]propyl]piperidine has a molecular weight of 388.44 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-propan-2-yl-2-(trifluoromethyl)-3-[2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]propyl]piperidine is sourced from PubChem (CID 146630100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).