N-methyl-1-(1-methylpiperidin-4-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidin-3-amine

C20H30F3N3O — CID 71906372

IUPACN-methyl-1-(1-methylpiperidin-4-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidin-3-amine
SMILESCC(c1ccc(OC(F)(F)F)cc1)N(C)C1CCN(C2CCN(C)CC2)C1
InChIInChI=1S/C20H30F3N3O/c1-15(16-4-6-19(7-5-16)27-20(21,22)23)25(3)18-10-13-26(14-18)17-8-11-24(2)12-9-17/h4-7,15,17-18H,8-14H2,1-3H3
InChIKeyISDVVXGHEAQOSG-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.75
Rot. Bonds5

About N-methyl-1-(1-methylpiperidin-4-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidin-3-amine

N-methyl-1-(1-methylpiperidin-4-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidin-3-amine (PubChem CID 71906372) has the molecular formula C20H30F3N3O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-methyl-1-(1-methylpiperidin-4-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpiperidin-4-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidin-3-amine
PubChem CID71906372
Molecular FormulaC20H30F3N3O
Molecular Weight385.47 g/mol
Exact Mass385.23
IUPAC NameN-methyl-1-(1-methylpiperidin-4-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidin-3-amine
SMILESCC(c1ccc(OC(F)(F)F)cc1)N(C)C1CCN(C2CCN(C)CC2)C1
InChIInChI=1S/C20H30F3N3O/c1-15(16-4-6-19(7-5-16)27-20(21,22)23)25(3)18-10-13-26(14-18)17-8-11-24(2)12-9-17/h4-7,15,17-18H,8-14H2,1-3H3
InChIKeyISDVVXGHEAQOSG-UHFFFAOYSA-N
XLogP3.75
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpiperidin-4-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-(1-methylpiperidin-4-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidin-3-amine (CID 71906372) is N-methyl-1-(1-methylpiperidin-4-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-(1-methylpiperidin-4-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-(1-methylpiperidin-4-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidin-3-amine is CC(c1ccc(OC(F)(F)F)cc1)N(C)C1CCN(C2CCN(C)CC2)C1.
What is the InChIKey of N-methyl-1-(1-methylpiperidin-4-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidin-3-amine?
The InChIKey is ISDVVXGHEAQOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F3N3O/c1-15(16-4-6-19(7-5-16)27-20(21,22)23)25(3)18-10-13-26(14-18)17-8-11-24(2)12-9-17/h4-7,15,17-18H,8-14H2,1-3H3.
What are the key properties of N-methyl-1-(1-methylpiperidin-4-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidin-3-amine?
N-methyl-1-(1-methylpiperidin-4-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidin-3-amine has a molecular weight of 385.47 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpiperidin-4-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 71906372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).