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

C11H21F3N2 — CID 83989613

IUPACN-methyl-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCCCN1CC(CC(F)(F)F)CC(NC)C1
InChIInChI=1S/C11H21F3N2/c1-3-4-16-7-9(6-11(12,13)14)5-10(8-16)15-2/h9-10,15H,3-8H2,1-2H3
InChIKeyUPCPQPBJFBDTSJ-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.26
Rot. Bonds4

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

N-methyl-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine (PubChem CID 83989613) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is N-methyl-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
PubChem CID83989613
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC NameN-methyl-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCCCN1CC(CC(F)(F)F)CC(NC)C1
InChIInChI=1S/C11H21F3N2/c1-3-4-16-7-9(6-11(12,13)14)5-10(8-16)15-2/h9-10,15H,3-8H2,1-2H3
InChIKeyUPCPQPBJFBDTSJ-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

N-(cyclobutylmethyl)-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83996991
N-methyl-1,5-dipropylpiperidin-3-amine
CID 83989593
N,1-diethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83990210
N-[5-(2,2-dimethylpropyl)-1-propylpiperidin-3-yl]acetamide
CID 112541700
N-(cyclohexylmethyl)-1-ethyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83998347
1-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992169
methyl N-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
CID 112543603
1-(2-aminoethyl)-N-cyclohexyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83999651
1-(2-aminoethyl)-5-butyl-N-methylpiperidin-3-amine
CID 83990113
N-ethyl-1-propan-2-yl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83990301
2-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992175
3-[3-(methylamino)-5-propylpiperidin-1-yl]propanoic acid
CID 83990005

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine?
The IUPAC name of N-methyl-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine (CID 83989613) is N-methyl-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine.
What is the SMILES notation for N-methyl-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine?
The canonical SMILES for N-methyl-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine is CCCN1CC(CC(F)(F)F)CC(NC)C1.
What is the InChIKey of N-methyl-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine?
The InChIKey is UPCPQPBJFBDTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-3-4-16-7-9(6-11(12,13)14)5-10(8-16)15-2/h9-10,15H,3-8H2,1-2H3.
What are the key properties of N-methyl-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine?
N-methyl-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine has a molecular weight of 238.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine is sourced from PubChem (CID 83989613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).