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

C11H21F3N2 — CID 83992203

IUPAC5-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCC1CC(NCC(F)(F)F)CN(C(C)C)C1
InChIInChI=1S/C11H21F3N2/c1-8(2)16-5-9(3)4-10(6-16)15-7-11(12,13)14/h8-10,15H,4-7H2,1-3H3
InChIKeyCPANCTPBABPPOZ-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.26
Rot. Bonds3

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

5-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine (PubChem CID 83992203) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 5-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine.

Molecular Properties

Compound Name5-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
PubChem CID83992203
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name5-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCC1CC(NCC(F)(F)F)CN(C(C)C)C1
InChIInChI=1S/C11H21F3N2/c1-8(2)16-5-9(3)4-10(6-16)15-7-11(12,13)14/h8-10,15H,4-7H2,1-3H3
InChIKeyCPANCTPBABPPOZ-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992214
1-(1-cyclobutylethyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine
CID 83995335
N-ethyl-1-propan-2-yl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83990301
5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine
CID 83994977
2,2-dimethyl-N-(5-methyl-1-propan-2-ylpiperidin-3-yl)propanamide
CID 112542188
1-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992572
5-ethyl-1-(3-methylcyclobutyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992503
1-(1-cyclopropylethyl)-N-(2,2-difluoroethyl)-5-methylpiperidin-3-amine
CID 83993235
1-[1-(1-cyclopropylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992553
1,5-diethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992094
N-(2-methylpropyl)-1-propan-2-ylazetidin-3-amine
CID 155088141
3-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992434

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The IUPAC name of 5-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine (CID 83992203) is 5-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine.
What is the SMILES notation for 5-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The canonical SMILES for 5-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine is CC1CC(NCC(F)(F)F)CN(C(C)C)C1.
What is the InChIKey of 5-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The InChIKey is CPANCTPBABPPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-8(2)16-5-9(3)4-10(6-16)15-7-11(12,13)14/h8-10,15H,4-7H2,1-3H3.
What are the key properties of 5-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
5-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine has a molecular weight of 238.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine is sourced from PubChem (CID 83992203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).