N-propan-2-yl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine

C13H23F3N2 — CID 103070855

IUPACN-propan-2-yl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H23F3N2/c1-10(2)17-7-11(3)8-18-6-4-5-12(9-18)13(14,15)16/h10,12,17H,3-9H2,1-2H3
InChIKeyJQCIXXLQTQCCEE-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.81
Rot. Bonds5

About N-propan-2-yl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine

N-propan-2-yl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine (PubChem CID 103070855) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-propan-2-yl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
PubChem CID103070855
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC NameN-propan-2-yl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H23F3N2/c1-10(2)17-7-11(3)8-18-6-4-5-12(9-18)13(14,15)16/h10,12,17H,3-9H2,1-2H3
InChIKeyJQCIXXLQTQCCEE-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine
CID 67812709
(4,4-Difluoro-1-propan-2-ylpiperidin-3-yl)methanamine
CID 83854892
1-(2,3-dimethylpent-1-en-3-yl)-N-(1,1,1-trifluoropropan-2-yl)piperidin-4-amine
CID 134594767
1-Propan-2-yl-3-(trifluoromethyl)piperidin-4-amine
CID 162754502
(4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-amine;ethane;molecular hydrogen
CID 176945883
(4S)-3,3-difluoro-1,5-dimethylpiperidin-4-amine;ethane;molecular hydrogen
CID 176945939
(4S,5S)-3,3-difluoro-N,1,5-trimethylpiperidin-4-amine;molecular hydrogen
CID 176945957
(4S,5S)-3,3-difluoro-1,5-dimethylpiperidin-4-amine;methane
CID 176945960
N-ethyl-3,3-difluoro-1,5-dimethylpiperidin-4-amine
CID 176946025
1,2,5-trimethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43665301
4,4,4-Trifluoro-3-(3-methylpiperidin-1-yl)butan-1-amine
CID 43753062
3-(3,5-Dimethylpiperidin-1-yl)-4,4,4-trifluorobutan-1-amine
CID 43753080

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-propan-2-yl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine (CID 103070855) is N-propan-2-yl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-propan-2-yl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-propan-2-yl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine is C=C(CNC(C)C)CN1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-propan-2-yl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine?
The InChIKey is JQCIXXLQTQCCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-10(2)17-7-11(3)8-18-6-4-5-12(9-18)13(14,15)16/h10,12,17H,3-9H2,1-2H3.
What are the key properties of N-propan-2-yl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine?
N-propan-2-yl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine has a molecular weight of 264.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 103070855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).