N-propyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine

C13H23F3N2 — CID 103070864

IUPACN-propyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
SMILESC=C(CNCCC)CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2/c1-3-6-17-9-11(2)10-18-7-4-12(5-8-18)13(14,15)16/h12,17H,2-10H2,1H3
InChIKeyZIKRWOBIAOIGOB-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.82
Rot. Bonds6

About N-propyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine

N-propyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine (PubChem CID 103070864) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-propyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-propyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
PubChem CID103070864
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC NameN-propyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
SMILESC=C(CNCCC)CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2/c1-3-6-17-9-11(2)10-18-7-4-12(5-8-18)13(14,15)16/h12,17H,2-10H2,1H3
InChIKeyZIKRWOBIAOIGOB-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.82
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-propyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-propyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine (CID 103070864) is N-propyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-propyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-propyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine is C=C(CNCCC)CN1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-propyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine?
The InChIKey is ZIKRWOBIAOIGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-3-6-17-9-11(2)10-18-7-4-12(5-8-18)13(14,15)16/h12,17H,2-10H2,1H3.
What are the key properties of N-propyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine?
N-propyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine has a molecular weight of 264.33 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 103070864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).