ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine;N,N,1-trimethylpiperidin-4-amine

C18H39F3N4 — CID 143535301

IUPACethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine;N,N,1-trimethylpiperidin-4-amine
SMILESCC.CN1CCC(N(C)C)CC1.CN1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2.C8H18N2.C2H6/c1-12-4-6-13(7-5-12)3-2-8(9,10)11;1-9(2)8-4-6-10(3)7-5-8;1-2/h2-7H2,1H3;8H,4-7H2,1-3H3;1-2H3
InChIKeyFGKFBUBHQIHQTC-UHFFFAOYSA-N
MW368.53 g/mol
LogP2.85
Rot. Bonds3

About ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine;N,N,1-trimethylpiperidin-4-amine

ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine;N,N,1-trimethylpiperidin-4-amine (PubChem CID 143535301) has the molecular formula C18H39F3N4 and a molecular weight of 368.53 g/mol. Its IUPAC name is ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine;N,N,1-trimethylpiperidin-4-amine.

Molecular Properties

Compound Nameethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine;N,N,1-trimethylpiperidin-4-amine
PubChem CID143535301
Molecular FormulaC18H39F3N4
Molecular Weight368.53 g/mol
Exact Mass368.31
IUPAC Nameethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine;N,N,1-trimethylpiperidin-4-amine
SMILESCC.CN1CCC(N(C)C)CC1.CN1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2.C8H18N2.C2H6/c1-12-4-6-13(7-5-12)3-2-8(9,10)11;1-9(2)8-4-6-10(3)7-5-8;1-2/h2-7H2,1H3;8H,4-7H2,1-3H3;1-2H3
InChIKeyFGKFBUBHQIHQTC-UHFFFAOYSA-N
XLogP2.85
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine;N,N,1-trimethylpiperidin-4-amine?
The IUPAC name of ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine;N,N,1-trimethylpiperidin-4-amine (CID 143535301) is ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine;N,N,1-trimethylpiperidin-4-amine.
What is the SMILES notation for ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine;N,N,1-trimethylpiperidin-4-amine?
The canonical SMILES for ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine;N,N,1-trimethylpiperidin-4-amine is CC.CN1CCC(N(C)C)CC1.CN1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine;N,N,1-trimethylpiperidin-4-amine?
The InChIKey is FGKFBUBHQIHQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2.C8H18N2.C2H6/c1-12-4-6-13(7-5-12)3-2-8(9,10)11;1-9(2)8-4-6-10(3)7-5-8;1-2/h2-7H2,1H3;8H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine;N,N,1-trimethylpiperidin-4-amine?
ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine;N,N,1-trimethylpiperidin-4-amine has a molecular weight of 368.53 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine;N,N,1-trimethylpiperidin-4-amine is sourced from PubChem (CID 143535301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).