N-tert-butyl-1-(3,3,3-trifluoropropyl)piperidin-4-amine

C12H23F3N2 — CID 58365109

IUPACN-tert-butyl-1-(3,3,3-trifluoropropyl)piperidin-4-amine
SMILESCC(C)(C)NC1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2/c1-11(2,3)16-10-4-7-17(8-5-10)9-6-12(13,14)15/h10,16H,4-9H2,1-3H3
InChIKeyQTSTWDMYNJWDRX-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.79
Rot. Bonds3

About N-tert-butyl-1-(3,3,3-trifluoropropyl)piperidin-4-amine

N-tert-butyl-1-(3,3,3-trifluoropropyl)piperidin-4-amine (PubChem CID 58365109) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-tert-butyl-1-(3,3,3-trifluoropropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-1-(3,3,3-trifluoropropyl)piperidin-4-amine
PubChem CID58365109
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC NameN-tert-butyl-1-(3,3,3-trifluoropropyl)piperidin-4-amine
SMILESCC(C)(C)NC1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2/c1-11(2,3)16-10-4-7-17(8-5-10)9-6-12(13,14)15/h10,16H,4-9H2,1-3H3
InChIKeyQTSTWDMYNJWDRX-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(3,3,3-trifluoropropyl)piperidin-4-amine?
The IUPAC name of N-tert-butyl-1-(3,3,3-trifluoropropyl)piperidin-4-amine (CID 58365109) is N-tert-butyl-1-(3,3,3-trifluoropropyl)piperidin-4-amine.
What is the SMILES notation for N-tert-butyl-1-(3,3,3-trifluoropropyl)piperidin-4-amine?
The canonical SMILES for N-tert-butyl-1-(3,3,3-trifluoropropyl)piperidin-4-amine is CC(C)(C)NC1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of N-tert-butyl-1-(3,3,3-trifluoropropyl)piperidin-4-amine?
The InChIKey is QTSTWDMYNJWDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-11(2,3)16-10-4-7-17(8-5-10)9-6-12(13,14)15/h10,16H,4-9H2,1-3H3.
What are the key properties of N-tert-butyl-1-(3,3,3-trifluoropropyl)piperidin-4-amine?
N-tert-butyl-1-(3,3,3-trifluoropropyl)piperidin-4-amine has a molecular weight of 252.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(3,3,3-trifluoropropyl)piperidin-4-amine is sourced from PubChem (CID 58365109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).