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

C13H23F3N2 — CID 103070861

IUPACN-propan-2-yl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2/c1-10(2)17-8-11(3)9-18-6-4-12(5-7-18)13(14,15)16/h10,12,17H,3-9H2,1-2H3
InChIKeyXAFSBPQQKQSDKL-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.81
Rot. Bonds5

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

N-propan-2-yl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine (PubChem CID 103070861) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-propan-2-yl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
PubChem CID103070861
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC NameN-propan-2-yl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2/c1-10(2)17-8-11(3)9-18-6-4-12(5-7-18)13(14,15)16/h10,12,17H,3-9H2,1-2H3
InChIKeyXAFSBPQQKQSDKL-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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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-propan-2-yl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine (CID 103070861) is N-propan-2-yl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-propan-2-yl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-propan-2-yl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine is C=C(CNC(C)C)CN1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-propan-2-yl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine?
The InChIKey is XAFSBPQQKQSDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-10(2)17-8-11(3)9-18-6-4-12(5-7-18)13(14,15)16/h10,12,17H,3-9H2,1-2H3.
What are the key properties of N-propan-2-yl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine?
N-propan-2-yl-2-[[4-(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-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 103070861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).