N-[(4-methylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C12H21F3N2 — CID 63122821

IUPACN-[(4-methylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCC1(CN(CC(F)(F)F)C2CC2)CCNCC1
InChIInChI=1S/C12H21F3N2/c1-11(4-6-16-7-5-11)8-17(10-2-3-10)9-12(13,14)15/h10,16H,2-9H2,1H3
InChIKeyMLMGWFXYYJHZMF-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.40
Rot. Bonds4

About N-[(4-methylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[(4-methylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 63122821) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-[(4-methylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(4-methylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID63122821
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC NameN-[(4-methylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCC1(CN(CC(F)(F)F)C2CC2)CCNCC1
InChIInChI=1S/C12H21F3N2/c1-11(4-6-16-7-5-11)8-17(10-2-3-10)9-12(13,14)15/h10,16H,2-9H2,1H3
InChIKeyMLMGWFXYYJHZMF-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[(4-methylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 63122821) is N-[(4-methylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[(4-methylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[(4-methylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is CC1(CN(CC(F)(F)F)C2CC2)CCNCC1.
What is the InChIKey of N-[(4-methylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is MLMGWFXYYJHZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-11(4-6-16-7-5-11)8-17(10-2-3-10)9-12(13,14)15/h10,16H,2-9H2,1H3.
What are the key properties of N-[(4-methylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[(4-methylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 250.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylpiperidin-4-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 63122821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).