(3R)-N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]piperidin-3-amine

C18H25F3N2 — CID 167488353

IUPAC(3R)-N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]piperidin-3-amine
SMILESCN(C)[C@@]1(C2CC(c3cccc(C(F)(F)F)c3)C2)CCCNC1
InChIInChI=1S/C18H25F3N2/c1-23(2)17(7-4-8-22-12-17)16-10-14(11-16)13-5-3-6-15(9-13)18(19,20)21/h3,5-6,9,14,16,22H,4,7-8,10-12H2,1-2H3/t14?,16?,17-/m0/s1
InChIKeyUVJFZAULARBOCM-PREGVCBESA-N
MW326.41 g/mol
LogP3.88
Rot. Bonds3

About (3R)-N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]piperidin-3-amine

(3R)-N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]piperidin-3-amine (PubChem CID 167488353) has the molecular formula C18H25F3N2 and a molecular weight of 326.41 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]piperidin-3-amine
PubChem CID167488353
Molecular FormulaC18H25F3N2
Molecular Weight326.41 g/mol
Exact Mass326.20
IUPAC Name(3R)-N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]piperidin-3-amine
SMILESCN(C)[C@@]1(C2CC(c3cccc(C(F)(F)F)c3)C2)CCCNC1
InChIInChI=1S/C18H25F3N2/c1-23(2)17(7-4-8-22-12-17)16-10-14(11-16)13-5-3-6-15(9-13)18(19,20)21/h3,5-6,9,14,16,22H,4,7-8,10-12H2,1-2H3/t14?,16?,17-/m0/s1
InChIKeyUVJFZAULARBOCM-PREGVCBESA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]piperidin-3-amine?
The IUPAC name of (3R)-N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]piperidin-3-amine (CID 167488353) is (3R)-N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]piperidin-3-amine.
What is the SMILES notation for (3R)-N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]piperidin-3-amine?
The canonical SMILES for (3R)-N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]piperidin-3-amine is CN(C)[C@@]1(C2CC(c3cccc(C(F)(F)F)c3)C2)CCCNC1.
What is the InChIKey of (3R)-N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]piperidin-3-amine?
The InChIKey is UVJFZAULARBOCM-PREGVCBESA-N. The full InChI is InChI=1S/C18H25F3N2/c1-23(2)17(7-4-8-22-12-17)16-10-14(11-16)13-5-3-6-15(9-13)18(19,20)21/h3,5-6,9,14,16,22H,4,7-8,10-12H2,1-2H3/t14?,16?,17-/m0/s1.
What are the key properties of (3R)-N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]piperidin-3-amine?
(3R)-N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]piperidin-3-amine has a molecular weight of 326.41 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]piperidin-3-amine is sourced from PubChem (CID 167488353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).