N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-4-(2,2,2-trifluoroethoxy)piperidin-4-amine

C16H30F3N3O — CID 172630186

IUPACN-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-4-(2,2,2-trifluoroethoxy)piperidin-4-amine
SMILESCNC1(OCC(F)(F)F)CCN(CCC2CCN(C)CC2)CC1
InChIInChI=1S/C16H30F3N3O/c1-20-15(23-13-16(17,18)19)6-11-22(12-7-15)10-5-14-3-8-21(2)9-4-14/h14,20H,3-13H2,1-2H3
InChIKeyAVWQFVRMVQIPLO-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.31
Rot. Bonds6

About N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-4-(2,2,2-trifluoroethoxy)piperidin-4-amine

N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-4-(2,2,2-trifluoroethoxy)piperidin-4-amine (PubChem CID 172630186) has the molecular formula C16H30F3N3O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-4-(2,2,2-trifluoroethoxy)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-4-(2,2,2-trifluoroethoxy)piperidin-4-amine
PubChem CID172630186
Molecular FormulaC16H30F3N3O
Molecular Weight337.43 g/mol
Exact Mass337.23
IUPAC NameN-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-4-(2,2,2-trifluoroethoxy)piperidin-4-amine
SMILESCNC1(OCC(F)(F)F)CCN(CCC2CCN(C)CC2)CC1
InChIInChI=1S/C16H30F3N3O/c1-20-15(23-13-16(17,18)19)6-11-22(12-7-15)10-5-14-3-8-21(2)9-4-14/h14,20H,3-13H2,1-2H3
InChIKeyAVWQFVRMVQIPLO-UHFFFAOYSA-N
XLogP2.31
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-4-(2,2,2-trifluoroethoxy)piperidin-4-amine?
The IUPAC name of N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-4-(2,2,2-trifluoroethoxy)piperidin-4-amine (CID 172630186) is N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-4-(2,2,2-trifluoroethoxy)piperidin-4-amine.
What is the SMILES notation for N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-4-(2,2,2-trifluoroethoxy)piperidin-4-amine?
The canonical SMILES for N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-4-(2,2,2-trifluoroethoxy)piperidin-4-amine is CNC1(OCC(F)(F)F)CCN(CCC2CCN(C)CC2)CC1.
What is the InChIKey of N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-4-(2,2,2-trifluoroethoxy)piperidin-4-amine?
The InChIKey is AVWQFVRMVQIPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F3N3O/c1-20-15(23-13-16(17,18)19)6-11-22(12-7-15)10-5-14-3-8-21(2)9-4-14/h14,20H,3-13H2,1-2H3.
What are the key properties of N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-4-(2,2,2-trifluoroethoxy)piperidin-4-amine?
N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-4-(2,2,2-trifluoroethoxy)piperidin-4-amine has a molecular weight of 337.43 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-4-(2,2,2-trifluoroethoxy)piperidin-4-amine is sourced from PubChem (CID 172630186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).