N,N,5-trimethyl-3-(1,1,1-trifluoropropan-2-yl)piperidin-2-amine

C11H21F3N2 — CID 176942529

IUPACN,N,5-trimethyl-3-(1,1,1-trifluoropropan-2-yl)piperidin-2-amine
SMILESCC1CNC(N(C)C)C(C(C)C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2/c1-7-5-9(8(2)11(12,13)14)10(15-6-7)16(3)4/h7-10,15H,5-6H2,1-4H3
InChIKeyLASHWPBMQDIBIQ-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.32
Rot. Bonds2

About N,N,5-trimethyl-3-(1,1,1-trifluoropropan-2-yl)piperidin-2-amine

N,N,5-trimethyl-3-(1,1,1-trifluoropropan-2-yl)piperidin-2-amine (PubChem CID 176942529) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is N,N,5-trimethyl-3-(1,1,1-trifluoropropan-2-yl)piperidin-2-amine.

Molecular Properties

Compound NameN,N,5-trimethyl-3-(1,1,1-trifluoropropan-2-yl)piperidin-2-amine
PubChem CID176942529
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC NameN,N,5-trimethyl-3-(1,1,1-trifluoropropan-2-yl)piperidin-2-amine
SMILESCC1CNC(N(C)C)C(C(C)C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2/c1-7-5-9(8(2)11(12,13)14)10(15-6-7)16(3)4/h7-10,15H,5-6H2,1-4H3
InChIKeyLASHWPBMQDIBIQ-UHFFFAOYSA-N
XLogP2.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-3-(1,1,1-trifluoropropan-2-yl)piperidin-2-amine?
The IUPAC name of N,N,5-trimethyl-3-(1,1,1-trifluoropropan-2-yl)piperidin-2-amine (CID 176942529) is N,N,5-trimethyl-3-(1,1,1-trifluoropropan-2-yl)piperidin-2-amine.
What is the SMILES notation for N,N,5-trimethyl-3-(1,1,1-trifluoropropan-2-yl)piperidin-2-amine?
The canonical SMILES for N,N,5-trimethyl-3-(1,1,1-trifluoropropan-2-yl)piperidin-2-amine is CC1CNC(N(C)C)C(C(C)C(F)(F)F)C1.
What is the InChIKey of N,N,5-trimethyl-3-(1,1,1-trifluoropropan-2-yl)piperidin-2-amine?
The InChIKey is LASHWPBMQDIBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-7-5-9(8(2)11(12,13)14)10(15-6-7)16(3)4/h7-10,15H,5-6H2,1-4H3.
What are the key properties of N,N,5-trimethyl-3-(1,1,1-trifluoropropan-2-yl)piperidin-2-amine?
N,N,5-trimethyl-3-(1,1,1-trifluoropropan-2-yl)piperidin-2-amine has a molecular weight of 238.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-3-(1,1,1-trifluoropropan-2-yl)piperidin-2-amine is sourced from PubChem (CID 176942529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).