N-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine

C11H19F3N2 — CID 119930887

IUPACN-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
SMILESC=CCN(CC1CCNCC1)CC(F)(F)F
InChIInChI=1S/C11H19F3N2/c1-2-7-16(9-11(12,13)14)8-10-3-5-15-6-4-10/h2,10,15H,1,3-9H2
InChIKeyMKQULWPGENKFNJ-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.04
Rot. Bonds5

About N-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine

N-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine (PubChem CID 119930887) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
PubChem CID119930887
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC NameN-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
SMILESC=CCN(CC1CCNCC1)CC(F)(F)F
InChIInChI=1S/C11H19F3N2/c1-2-7-16(9-11(12,13)14)8-10-3-5-15-6-4-10/h2,10,15H,1,3-9H2
InChIKeyMKQULWPGENKFNJ-UHFFFAOYSA-N
XLogP2.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.04
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

1-Allyl-4-(trifluoromethyl)piperidine
CID 17986135
ethane;(3Z,5Z)-hepta-1,3,5-triene;4-(trifluoromethyl)piperidine
CID 145285449
N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-N-methylprop-2-en-1-amine
CID 166774447
N-prop-2-enyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755423
N-prop-2-enyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
CID 62556590
N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-en-1-amine
CID 62574962
N-prop-2-enyl-2-[4-(trifluoromethyl)piperidin-1-yl]propan-1-amine
CID 65529986
N-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]prop-2-en-1-amine
CID 65530565
4-[3-(Trifluoromethyl)piperidin-1-yl]but-2-en-1-amine
CID 77110534
4-[4-(Trifluoromethyl)piperidin-1-yl]but-2-en-1-amine
CID 77110549
N-ethyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
CID 103070856
N-methyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
CID 103070860

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine?
The IUPAC name of N-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine (CID 119930887) is N-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine is C=CCN(CC1CCNCC1)CC(F)(F)F.
What is the InChIKey of N-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine?
The InChIKey is MKQULWPGENKFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-2-7-16(9-11(12,13)14)8-10-3-5-15-6-4-10/h2,10,15H,1,3-9H2.
What are the key properties of N-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine?
N-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine has a molecular weight of 236.28 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine is sourced from PubChem (CID 119930887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).