4-tert-butyl-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]piperidine

C19H35F3N2 — CID 134184115

IUPAC4-tert-butyl-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]piperidine
SMILESCC(C)(C)C1CCN(C(C)(C)C2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C19H35F3N2/c1-17(2,3)15-8-12-24(13-9-15)18(4,5)16-6-10-23(11-7-16)14-19(20,21)22/h15-16H,6-14H2,1-5H3
InChIKeyUGHZAJLAVPDULY-UHFFFAOYSA-N
MW348.50 g/mol
LogP4.80
Rot. Bonds3

About 4-tert-butyl-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]piperidine

4-tert-butyl-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]piperidine (PubChem CID 134184115) has the molecular formula C19H35F3N2 and a molecular weight of 348.50 g/mol. Its IUPAC name is 4-tert-butyl-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]piperidine
PubChem CID134184115
Molecular FormulaC19H35F3N2
Molecular Weight348.50 g/mol
Exact Mass348.28
IUPAC Name4-tert-butyl-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]piperidine
SMILESCC(C)(C)C1CCN(C(C)(C)C2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C19H35F3N2/c1-17(2,3)15-8-12-24(13-9-15)18(4,5)16-6-10-23(11-7-16)14-19(20,21)22/h15-16H,6-14H2,1-5H3
InChIKeyUGHZAJLAVPDULY-UHFFFAOYSA-N
XLogP4.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]piperidine?
The IUPAC name of 4-tert-butyl-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]piperidine (CID 134184115) is 4-tert-butyl-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]piperidine.
What is the SMILES notation for 4-tert-butyl-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]piperidine?
The canonical SMILES for 4-tert-butyl-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]piperidine is CC(C)(C)C1CCN(C(C)(C)C2CCN(CC(F)(F)F)CC2)CC1.
What is the InChIKey of 4-tert-butyl-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]piperidine?
The InChIKey is UGHZAJLAVPDULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35F3N2/c1-17(2,3)15-8-12-24(13-9-15)18(4,5)16-6-10-23(11-7-16)14-19(20,21)22/h15-16H,6-14H2,1-5H3.
What are the key properties of 4-tert-butyl-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]piperidine?
4-tert-butyl-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]piperidine has a molecular weight of 348.50 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]piperidine is sourced from PubChem (CID 134184115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).