2,2,2-trifluoro-N-[(1-propylpiperidin-4-yl)methyl]ethanamine

C11H21F3N2 — CID 83983099

IUPAC2,2,2-trifluoro-N-[(1-propylpiperidin-4-yl)methyl]ethanamine
SMILESCCCN1CCC(CNCC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2/c1-2-5-16-6-3-10(4-7-16)8-15-9-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyBFSIGYCHCPNWKW-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.26
Rot. Bonds5

About 2,2,2-trifluoro-N-[(1-propylpiperidin-4-yl)methyl]ethanamine

2,2,2-trifluoro-N-[(1-propylpiperidin-4-yl)methyl]ethanamine (PubChem CID 83983099) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1-propylpiperidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1-propylpiperidin-4-yl)methyl]ethanamine
PubChem CID83983099
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name2,2,2-trifluoro-N-[(1-propylpiperidin-4-yl)methyl]ethanamine
SMILESCCCN1CCC(CNCC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2/c1-2-5-16-6-3-10(4-7-16)8-15-9-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyBFSIGYCHCPNWKW-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

Analyze 2,2,2-trifluoro-N-[(1-propylpiperidin-4-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanamine
CID 83983142
N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine
CID 64565266
N-[2-(4-ethylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62557757
N-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]propan-1-amine
CID 115514231
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine
CID 62593089
2,2,2-trifluoro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 83983209
N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 83982976
ethane;methyl 2-(1-propylpiperidin-4-yl)acetate
CID 143432640
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-2,2,2-trifluoroethanamine
CID 62554395
1-propyl-4-[(1-propylpiperidin-4-yl)methyl]piperidine
CID 172611487
2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 83983429
2-[4-(ethylaminomethyl)piperidin-1-yl]ethanol
CID 63588121

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1-propylpiperidin-4-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(1-propylpiperidin-4-yl)methyl]ethanamine (CID 83983099) is 2,2,2-trifluoro-N-[(1-propylpiperidin-4-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1-propylpiperidin-4-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(1-propylpiperidin-4-yl)methyl]ethanamine is CCCN1CCC(CNCC(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[(1-propylpiperidin-4-yl)methyl]ethanamine?
The InChIKey is BFSIGYCHCPNWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-2-5-16-6-3-10(4-7-16)8-15-9-11(12,13)14/h10,15H,2-9H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(1-propylpiperidin-4-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(1-propylpiperidin-4-yl)methyl]ethanamine has a molecular weight of 238.30 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1-propylpiperidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 83983099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).