6,6,6-trifluoro-N-[(1-methylpiperidin-4-yl)methyl]hexan-2-amine

C13H25F3N2 — CID 116534698

IUPAC6,6,6-trifluoro-N-[(1-methylpiperidin-4-yl)methyl]hexan-2-amine
SMILESCC(CCCC(F)(F)F)NCC1CCN(C)CC1
InChIInChI=1S/C13H25F3N2/c1-11(4-3-7-13(14,15)16)17-10-12-5-8-18(2)9-6-12/h11-12,17H,3-10H2,1-2H3
InChIKeyYIKLTNKEXOPXIK-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.04
Rot. Bonds6

About 6,6,6-trifluoro-N-[(1-methylpiperidin-4-yl)methyl]hexan-2-amine

6,6,6-trifluoro-N-[(1-methylpiperidin-4-yl)methyl]hexan-2-amine (PubChem CID 116534698) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-[(1-methylpiperidin-4-yl)methyl]hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-[(1-methylpiperidin-4-yl)methyl]hexan-2-amine
PubChem CID116534698
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name6,6,6-trifluoro-N-[(1-methylpiperidin-4-yl)methyl]hexan-2-amine
SMILESCC(CCCC(F)(F)F)NCC1CCN(C)CC1
InChIInChI=1S/C13H25F3N2/c1-11(4-3-7-13(14,15)16)17-10-12-5-8-18(2)9-6-12/h11-12,17H,3-10H2,1-2H3
InChIKeyYIKLTNKEXOPXIK-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol
CID 104924912
2-[(1-methylpyrrolidin-3-yl)methylamino]propan-1-ol
CID 130204020
1-cyclobutyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine
CID 115717537
1-ethylsulfonyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine
CID 115900963
6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 116534777
1-cyclopropyl-2-(6,6,6-trifluorohexan-2-ylamino)ethanol
CID 116534784
N-[(1-methylpiperidin-4-yl)methyl]-1-(2-methylpropylsulfanyl)propan-2-amine
CID 84588328
N-[2-(1-methylpiperidin-4-yl)ethyl]octan-2-amine
CID 115717494
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
6,6,6-trifluoro-N-(2-piperidin-1-ylpropyl)hexan-2-amine
CID 116534627
2-methyl-3-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-ol
CID 65337885
N-[(1-propylpyrrolidin-3-yl)methyl]hexan-2-amine
CID 115712049

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-[(1-methylpiperidin-4-yl)methyl]hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-[(1-methylpiperidin-4-yl)methyl]hexan-2-amine (CID 116534698) is 6,6,6-trifluoro-N-[(1-methylpiperidin-4-yl)methyl]hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-[(1-methylpiperidin-4-yl)methyl]hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-[(1-methylpiperidin-4-yl)methyl]hexan-2-amine is CC(CCCC(F)(F)F)NCC1CCN(C)CC1.
What is the InChIKey of 6,6,6-trifluoro-N-[(1-methylpiperidin-4-yl)methyl]hexan-2-amine?
The InChIKey is YIKLTNKEXOPXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-11(4-3-7-13(14,15)16)17-10-12-5-8-18(2)9-6-12/h11-12,17H,3-10H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-N-[(1-methylpiperidin-4-yl)methyl]hexan-2-amine?
6,6,6-trifluoro-N-[(1-methylpiperidin-4-yl)methyl]hexan-2-amine has a molecular weight of 266.35 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N-[(1-methylpiperidin-4-yl)methyl]hexan-2-amine is sourced from PubChem (CID 116534698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).