N-(2-methylprop-2-enyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C11H19F3N2 — CID 114615812

IUPACN-(2-methylprop-2-enyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESC=C(C)CNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2/c1-9(2)7-15-10-3-5-16(6-4-10)8-11(12,13)14/h10,15H,1,3-8H2,2H3
InChIKeyBPYVNDZJQNVIPT-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.18
Rot. Bonds4

About N-(2-methylprop-2-enyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(2-methylprop-2-enyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 114615812) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID114615812
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC NameN-(2-methylprop-2-enyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESC=C(C)CNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2/c1-9(2)7-15-10-3-5-16(6-4-10)8-11(12,13)14/h10,15H,1,3-8H2,2H3
InChIKeyBPYVNDZJQNVIPT-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.18
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-(3-Methylbut-2-en-1-yl)piperidin-4-amine
CID 43556892
N-(2,2-difluoroethyl)-1-methylpiperidin-4-amine
CID 50896642
1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 24710241
N-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43315253
N-(2,2-difluoroethyl)-N-methylpiperidin-4-amine
CID 54595920
N-tert-butyl-1-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 58365109
1-propan-2-yl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 60696501
1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 60696502
N-ethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 60807298
1-(2,2-difluoroethyl)-N-methylpiperidin-4-amine
CID 60923174
1-(2,2-difluoroethyl)-N-ethylpiperidin-4-amine
CID 60923175
N-methyl-1-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 63226778

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(2-methylprop-2-enyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 114615812) is N-(2-methylprop-2-enyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(2-methylprop-2-enyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(2-methylprop-2-enyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is C=C(C)CNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(2-methylprop-2-enyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is BPYVNDZJQNVIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-9(2)7-15-10-3-5-16(6-4-10)8-11(12,13)14/h10,15H,1,3-8H2,2H3.
What are the key properties of N-(2-methylprop-2-enyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(2-methylprop-2-enyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 236.28 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 114615812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).