N-(3-methoxycyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine

C14H25F3N2O — CID 64852771

IUPACN-(3-methoxycyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCOC1CCCC(N(CC(F)(F)F)C2CCNCC2)C1
InChIInChI=1S/C14H25F3N2O/c1-20-13-4-2-3-12(9-13)19(10-14(15,16)17)11-5-7-18-8-6-11/h11-13,18H,2-10H2,1H3
InChIKeyYLXZABNFPXHICY-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.56
Rot. Bonds4

About N-(3-methoxycyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(3-methoxycyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 64852771) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(3-methoxycyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxycyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID64852771
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC NameN-(3-methoxycyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCOC1CCCC(N(CC(F)(F)F)C2CCNCC2)C1
InChIInChI=1S/C14H25F3N2O/c1-20-13-4-2-3-12(9-13)19(10-14(15,16)17)11-5-7-18-8-6-11/h11-13,18H,2-10H2,1H3
InChIKeyYLXZABNFPXHICY-UHFFFAOYSA-N
XLogP2.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(3-methoxycyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 64852771) is N-(3-methoxycyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(3-methoxycyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(3-methoxycyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine is COC1CCCC(N(CC(F)(F)F)C2CCNCC2)C1.
What is the InChIKey of N-(3-methoxycyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is YLXZABNFPXHICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-20-13-4-2-3-12(9-13)19(10-14(15,16)17)11-5-7-18-8-6-11/h11-13,18H,2-10H2,1H3.
What are the key properties of N-(3-methoxycyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(3-methoxycyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 294.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 64852771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).