3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propan-1-amine

C11H21F3N2O — CID 103366493

IUPAC3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propan-1-amine
SMILESCOC1CN(CC(CN)C(F)(F)F)CCC1C
InChIInChI=1S/C11H21F3N2O/c1-8-3-4-16(7-10(8)17-2)6-9(5-15)11(12,13)14/h8-10H,3-7,15H2,1-2H3
InChIKeyKUINOGULLPLPKS-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.48
Rot. Bonds4

About 3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propan-1-amine

3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propan-1-amine (PubChem CID 103366493) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propan-1-amine
PubChem CID103366493
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propan-1-amine
SMILESCOC1CN(CC(CN)C(F)(F)F)CCC1C
InChIInChI=1S/C11H21F3N2O/c1-8-3-4-16(7-10(8)17-2)6-9(5-15)11(12,13)14/h8-10H,3-7,15H2,1-2H3
InChIKeyKUINOGULLPLPKS-UHFFFAOYSA-N
XLogP1.48
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]propan-2-ol
CID 56779871
4-(2,2-Difluoro-1-methoxyethyl)piperidinehydrochloride
CID 167736904
4-(2,2,2-Trifluoro-1-methoxyethyl)piperidine
CID 58450384
(3R,4S)-3-fluoro-1,4-dimethyl-5-[(3R)-pyrrolidin-3-yl]oxypiperidine
CID 163829316
3-Methoxy-4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
CID 169665560
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methanamine
CID 54961603
4,4,4-Trifluoro-3-(3-propoxypiperidin-1-yl)butan-1-amine
CID 54985282
3-(3-Ethoxypiperidin-1-yl)-4,4,4-trifluorobutan-1-amine
CID 54985515
2-[1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidin-4-yl]ethanamine
CID 54989204
2-methoxy-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]ethanamine
CID 55218538
[1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidin-3-yl]methanamine
CID 61490444
[1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidin-4-yl]methanamine
CID 61490446

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propan-1-amine (CID 103366493) is 3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propan-1-amine is COC1CN(CC(CN)C(F)(F)F)CCC1C.
What is the InChIKey of 3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propan-1-amine?
The InChIKey is KUINOGULLPLPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-8-3-4-16(7-10(8)17-2)6-9(5-15)11(12,13)14/h8-10H,3-7,15H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propan-1-amine?
3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propan-1-amine has a molecular weight of 254.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propan-1-amine is sourced from PubChem (CID 103366493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).