1-piperidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine

C10H19F3N2O — CID 82711010

IUPAC1-piperidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCC(CC1CCCCN1)NOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-8(15-16-7-10(11,12)13)6-9-4-2-3-5-14-9/h8-9,14-15H,2-7H2,1H3
InChIKeyAHKFZISAUANJAM-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.99
Rot. Bonds5

About 1-piperidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine

1-piperidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 82711010) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-piperidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-piperidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID82711010
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name1-piperidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCC(CC1CCCCN1)NOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-8(15-16-7-10(11,12)13)6-9-4-2-3-5-14-9/h8-9,14-15H,2-7H2,1H3
InChIKeyAHKFZISAUANJAM-UHFFFAOYSA-N
XLogP1.99
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 79549593
4,4,4-trifluoro-N-(1-piperidin-2-ylpropan-2-yl)butan-1-amine
CID 115516388
N-(1-piperidin-2-ylpropan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 114158626
3,3,3-trifluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)propan-1-amine
CID 79539962
1-(azepan-2-yl)-N-phenylmethoxypropan-2-amine
CID 82710017
N-(cyclobutylmethyl)-1-piperidin-2-ylpropan-2-amine
CID 79549693
N-(1-pyrrolidin-2-ylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 79537456
N-(1-piperidin-2-ylpropan-2-yl)cyclohexanamine
CID 79549011
3-methyl-N-(1-piperidin-2-ylpropan-2-yl)pentan-2-amine
CID 79539602
2-methoxy-2-methyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine
CID 104759518
2-(2,2,2-trifluoroethoxymethyl)piperidine
CID 24702991
2-(3,3,3-trifluoro-2-methoxypropyl)piperidine
CID 84734554

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-piperidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine (CID 82711010) is 1-piperidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-piperidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-piperidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine is CC(CC1CCCCN1)NOCC(F)(F)F.
What is the InChIKey of 1-piperidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is AHKFZISAUANJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-8(15-16-7-10(11,12)13)6-9-4-2-3-5-14-9/h8-9,14-15H,2-7H2,1H3.
What are the key properties of 1-piperidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine?
1-piperidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 240.27 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-2-yl-N-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 82711010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).