6-(1,2-dimethylpiperidin-2-yl)-3-methyl-2,4-bis(trifluoromethyl)cyclohexan-1-amine

C16H26F6N2 — CID 163699593

IUPAC6-(1,2-dimethylpiperidin-2-yl)-3-methyl-2,4-bis(trifluoromethyl)cyclohexan-1-amine
SMILESCC1C(C(F)(F)F)CC(C2(C)CCCCN2C)C(N)C1C(F)(F)F
InChIInChI=1S/C16H26F6N2/c1-9-10(15(17,18)19)8-11(13(23)12(9)16(20,21)22)14(2)6-4-5-7-24(14)3/h9-13H,4-8,23H2,1-3H3
InChIKeyJZVUGYABOFIJGX-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.20
Rot. Bonds1

About 6-(1,2-dimethylpiperidin-2-yl)-3-methyl-2,4-bis(trifluoromethyl)cyclohexan-1-amine

6-(1,2-dimethylpiperidin-2-yl)-3-methyl-2,4-bis(trifluoromethyl)cyclohexan-1-amine (PubChem CID 163699593) has the molecular formula C16H26F6N2 and a molecular weight of 360.39 g/mol. Its IUPAC name is 6-(1,2-dimethylpiperidin-2-yl)-3-methyl-2,4-bis(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name6-(1,2-dimethylpiperidin-2-yl)-3-methyl-2,4-bis(trifluoromethyl)cyclohexan-1-amine
PubChem CID163699593
Molecular FormulaC16H26F6N2
Molecular Weight360.39 g/mol
Exact Mass360.20
IUPAC Name6-(1,2-dimethylpiperidin-2-yl)-3-methyl-2,4-bis(trifluoromethyl)cyclohexan-1-amine
SMILESCC1C(C(F)(F)F)CC(C2(C)CCCCN2C)C(N)C1C(F)(F)F
InChIInChI=1S/C16H26F6N2/c1-9-10(15(17,18)19)8-11(13(23)12(9)16(20,21)22)14(2)6-4-5-7-24(14)3/h9-13H,4-8,23H2,1-3H3
InChIKeyJZVUGYABOFIJGX-UHFFFAOYSA-N
XLogP4.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1,2-dimethylpiperidin-2-yl)-3-methyl-2,4-bis(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 6-(1,2-dimethylpiperidin-2-yl)-3-methyl-2,4-bis(trifluoromethyl)cyclohexan-1-amine (CID 163699593) is 6-(1,2-dimethylpiperidin-2-yl)-3-methyl-2,4-bis(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 6-(1,2-dimethylpiperidin-2-yl)-3-methyl-2,4-bis(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 6-(1,2-dimethylpiperidin-2-yl)-3-methyl-2,4-bis(trifluoromethyl)cyclohexan-1-amine is CC1C(C(F)(F)F)CC(C2(C)CCCCN2C)C(N)C1C(F)(F)F.
What is the InChIKey of 6-(1,2-dimethylpiperidin-2-yl)-3-methyl-2,4-bis(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is JZVUGYABOFIJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F6N2/c1-9-10(15(17,18)19)8-11(13(23)12(9)16(20,21)22)14(2)6-4-5-7-24(14)3/h9-13H,4-8,23H2,1-3H3.
What are the key properties of 6-(1,2-dimethylpiperidin-2-yl)-3-methyl-2,4-bis(trifluoromethyl)cyclohexan-1-amine?
6-(1,2-dimethylpiperidin-2-yl)-3-methyl-2,4-bis(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 360.39 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-dimethylpiperidin-2-yl)-3-methyl-2,4-bis(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 163699593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).