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

C12H21F3N2 — CID 62556590

IUPACN-prop-2-enyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
SMILESC=CCNCC(C)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2/c1-3-6-16-8-10(2)17-7-4-5-11(9-17)12(13,14)15/h3,10-11,16H,1,4-9H2,2H3
InChIKeyGGWWOOQCYGMJIQ-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.42
Rot. Bonds5

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

N-prop-2-enyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine (PubChem CID 62556590) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-prop-2-enyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-prop-2-enyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
PubChem CID62556590
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC NameN-prop-2-enyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
SMILESC=CCNCC(C)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2/c1-3-6-16-8-10(2)17-7-4-5-11(9-17)12(13,14)15/h3,10-11,16H,1,4-9H2,2H3
InChIKeyGGWWOOQCYGMJIQ-UHFFFAOYSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine?
The IUPAC name of N-prop-2-enyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine (CID 62556590) is N-prop-2-enyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for N-prop-2-enyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for N-prop-2-enyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine is C=CCNCC(C)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-prop-2-enyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine?
The InChIKey is GGWWOOQCYGMJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-3-6-16-8-10(2)17-7-4-5-11(9-17)12(13,14)15/h3,10-11,16H,1,4-9H2,2H3.
What are the key properties of N-prop-2-enyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine?
N-prop-2-enyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine has a molecular weight of 250.31 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 62556590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).