N-[1-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine

C15H27F3N2 — CID 43747385

IUPACN-[1-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(NC1CCCC(C(F)(F)F)C1)C1CCN(C)CC1
InChIInChI=1S/C15H27F3N2/c1-11(12-6-8-20(2)9-7-12)19-14-5-3-4-13(10-14)15(16,17)18/h11-14,19H,3-10H2,1-2H3
InChIKeyRRXXKPYRYVIYIF-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.43
Rot. Bonds3

About N-[1-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine

N-[1-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43747385) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43747385
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC NameN-[1-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(NC1CCCC(C(F)(F)F)C1)C1CCN(C)CC1
InChIInChI=1S/C15H27F3N2/c1-11(12-6-8-20(2)9-7-12)19-14-5-3-4-13(10-14)15(16,17)18/h11-14,19H,3-10H2,1-2H3
InChIKeyRRXXKPYRYVIYIF-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[1-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 43747385) is N-[1-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[1-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine is CC(NC1CCCC(C(F)(F)F)C1)C1CCN(C)CC1.
What is the InChIKey of N-[1-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is RRXXKPYRYVIYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-11(12-6-8-20(2)9-7-12)19-14-5-3-4-13(10-14)15(16,17)18/h11-14,19H,3-10H2,1-2H3.
What are the key properties of N-[1-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
N-[1-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 292.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43747385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).