5-(2,2-dimethylpropyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine

C13H25F3N2 — CID 83992057

IUPAC5-(2,2-dimethylpropyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCN1CC(CC(C)(C)C)CC(NCC(F)(F)F)C1
InChIInChI=1S/C13H25F3N2/c1-12(2,3)6-10-5-11(8-18(4)7-10)17-9-13(14,15)16/h10-11,17H,5-9H2,1-4H3
InChIKeyHHMXYSAAXDZBHQ-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.89
Rot. Bonds3

About 5-(2,2-dimethylpropyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine

5-(2,2-dimethylpropyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine (PubChem CID 83992057) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
PubChem CID83992057
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name5-(2,2-dimethylpropyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCN1CC(CC(C)(C)C)CC(NCC(F)(F)F)C1
InChIInChI=1S/C13H25F3N2/c1-12(2,3)6-10-5-11(8-18(4)7-10)17-9-13(14,15)16/h10-11,17H,5-9H2,1-4H3
InChIKeyHHMXYSAAXDZBHQ-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992073
3-methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992078
(3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 162433689
1-[5-(2,2-dimethylpropylamino)-1-methylpiperidin-3-yl]-3,3-dimethylbutan-2-ol
CID 83994848
1,5-diethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992094
1-methyl-5-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992089
1-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992169
N-(2,2-dimethylpropyl)-1-methyl-5-propan-2-ylpiperidin-3-amine
CID 83994824
ethyl N-[1-methyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
CID 112543642
2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992106
1-methyl-5-thiophen-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992062
2-[1-acetyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992292

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine (CID 83992057) is 5-(2,2-dimethylpropyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine is CN1CC(CC(C)(C)C)CC(NCC(F)(F)F)C1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The InChIKey is HHMXYSAAXDZBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-12(2,3)6-10-5-11(8-18(4)7-10)17-9-13(14,15)16/h10-11,17H,5-9H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpropyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
5-(2,2-dimethylpropyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine has a molecular weight of 266.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine is sourced from PubChem (CID 83992057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).