N-methyl-N-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-amine

C11H19F3N2 — CID 156746004

IUPACN-methyl-N-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-amine
SMILESCN(CC1(C(F)(F)F)CC1)C1CCNCC1
InChIInChI=1S/C11H19F3N2/c1-16(9-2-6-15-7-3-9)8-10(4-5-10)11(12,13)14/h9,15H,2-8H2,1H3
InChIKeyOXMBOTYIUYPRDK-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.01
Rot. Bonds3

About N-methyl-N-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-amine

N-methyl-N-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-amine (PubChem CID 156746004) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-methyl-N-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-amine
PubChem CID156746004
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC NameN-methyl-N-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-amine
SMILESCN(CC1(C(F)(F)F)CC1)C1CCNCC1
InChIInChI=1S/C11H19F3N2/c1-16(9-2-6-15-7-3-9)8-10(4-5-10)11(12,13)14/h9,15H,2-8H2,1H3
InChIKeyOXMBOTYIUYPRDK-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-amine?
The IUPAC name of N-methyl-N-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-amine (CID 156746004) is N-methyl-N-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-N-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-amine?
The canonical SMILES for N-methyl-N-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-amine is CN(CC1(C(F)(F)F)CC1)C1CCNCC1.
What is the InChIKey of N-methyl-N-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-amine?
The InChIKey is OXMBOTYIUYPRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-16(9-2-6-15-7-3-9)8-10(4-5-10)11(12,13)14/h9,15H,2-8H2,1H3.
What are the key properties of N-methyl-N-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-amine?
N-methyl-N-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-amine has a molecular weight of 236.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-amine is sourced from PubChem (CID 156746004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).