4,4-di(propan-2-yl)-1-(3,3,3-trifluoropropyl)piperidine

C14H26F3N — CID 21069095

IUPAC4,4-di(propan-2-yl)-1-(3,3,3-trifluoropropyl)piperidine
SMILESCC(C)C1(C(C)C)CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N/c1-11(2)13(12(3)4)5-8-18(9-6-13)10-7-14(15,16)17/h11-12H,5-10H2,1-4H3
InChIKeyAPOPGVZNWPZGTO-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.33
Rot. Bonds4

About 4,4-di(propan-2-yl)-1-(3,3,3-trifluoropropyl)piperidine

4,4-di(propan-2-yl)-1-(3,3,3-trifluoropropyl)piperidine (PubChem CID 21069095) has the molecular formula C14H26F3N and a molecular weight of 265.36 g/mol. Its IUPAC name is 4,4-di(propan-2-yl)-1-(3,3,3-trifluoropropyl)piperidine.

Molecular Properties

Compound Name4,4-di(propan-2-yl)-1-(3,3,3-trifluoropropyl)piperidine
PubChem CID21069095
Molecular FormulaC14H26F3N
Molecular Weight265.36 g/mol
Exact Mass265.20
IUPAC Name4,4-di(propan-2-yl)-1-(3,3,3-trifluoropropyl)piperidine
SMILESCC(C)C1(C(C)C)CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N/c1-11(2)13(12(3)4)5-8-18(9-6-13)10-7-14(15,16)17/h11-12H,5-10H2,1-4H3
InChIKeyAPOPGVZNWPZGTO-UHFFFAOYSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-di(propan-2-yl)-1-(3,3,3-trifluoropropyl)piperidine?
The IUPAC name of 4,4-di(propan-2-yl)-1-(3,3,3-trifluoropropyl)piperidine (CID 21069095) is 4,4-di(propan-2-yl)-1-(3,3,3-trifluoropropyl)piperidine.
What is the SMILES notation for 4,4-di(propan-2-yl)-1-(3,3,3-trifluoropropyl)piperidine?
The canonical SMILES for 4,4-di(propan-2-yl)-1-(3,3,3-trifluoropropyl)piperidine is CC(C)C1(C(C)C)CCN(CCC(F)(F)F)CC1.
What is the InChIKey of 4,4-di(propan-2-yl)-1-(3,3,3-trifluoropropyl)piperidine?
The InChIKey is APOPGVZNWPZGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N/c1-11(2)13(12(3)4)5-8-18(9-6-13)10-7-14(15,16)17/h11-12H,5-10H2,1-4H3.
What are the key properties of 4,4-di(propan-2-yl)-1-(3,3,3-trifluoropropyl)piperidine?
4,4-di(propan-2-yl)-1-(3,3,3-trifluoropropyl)piperidine has a molecular weight of 265.36 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-di(propan-2-yl)-1-(3,3,3-trifluoropropyl)piperidine is sourced from PubChem (CID 21069095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).