(1R)-2-(2,5-difluorophenyl)-1-(4-piperidin-1-ylcyclohexyl)ethanamine

C19H28F2N2 — CID 53321497

IUPAC(1R)-2-(2,5-difluorophenyl)-1-(4-piperidin-1-ylcyclohexyl)ethanamine
SMILESN[C@H](Cc1cc(F)ccc1F)C1CCC(N2CCCCC2)CC1
InChIInChI=1S/C19H28F2N2/c20-16-6-9-18(21)15(12-16)13-19(22)14-4-7-17(8-5-14)23-10-2-1-3-11-23/h6,9,12,14,17,19H,1-5,7-8,10-11,13,22H2/t14?,17?,19-/m1/s1
InChIKeyUBUHLLTVKBEOMA-ITXXBFQVSA-N
MW322.44 g/mol
LogP3.88
Rot. Bonds4

About (1R)-2-(2,5-difluorophenyl)-1-(4-piperidin-1-ylcyclohexyl)ethanamine

(1R)-2-(2,5-difluorophenyl)-1-(4-piperidin-1-ylcyclohexyl)ethanamine (PubChem CID 53321497) has the molecular formula C19H28F2N2 and a molecular weight of 322.44 g/mol. Its IUPAC name is (1R)-2-(2,5-difluorophenyl)-1-(4-piperidin-1-ylcyclohexyl)ethanamine.

Molecular Properties

Compound Name(1R)-2-(2,5-difluorophenyl)-1-(4-piperidin-1-ylcyclohexyl)ethanamine
PubChem CID53321497
Molecular FormulaC19H28F2N2
Molecular Weight322.44 g/mol
Exact Mass322.22
IUPAC Name(1R)-2-(2,5-difluorophenyl)-1-(4-piperidin-1-ylcyclohexyl)ethanamine
SMILESN[C@H](Cc1cc(F)ccc1F)C1CCC(N2CCCCC2)CC1
InChIInChI=1S/C19H28F2N2/c20-16-6-9-18(21)15(12-16)13-19(22)14-4-7-17(8-5-14)23-10-2-1-3-11-23/h6,9,12,14,17,19H,1-5,7-8,10-11,13,22H2/t14?,17?,19-/m1/s1
InChIKeyUBUHLLTVKBEOMA-ITXXBFQVSA-N
XLogP3.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2,5-difluorophenyl)-1-(4-piperidin-1-ylcyclohexyl)ethanamine?
The IUPAC name of (1R)-2-(2,5-difluorophenyl)-1-(4-piperidin-1-ylcyclohexyl)ethanamine (CID 53321497) is (1R)-2-(2,5-difluorophenyl)-1-(4-piperidin-1-ylcyclohexyl)ethanamine.
What is the SMILES notation for (1R)-2-(2,5-difluorophenyl)-1-(4-piperidin-1-ylcyclohexyl)ethanamine?
The canonical SMILES for (1R)-2-(2,5-difluorophenyl)-1-(4-piperidin-1-ylcyclohexyl)ethanamine is N[C@H](Cc1cc(F)ccc1F)C1CCC(N2CCCCC2)CC1.
What is the InChIKey of (1R)-2-(2,5-difluorophenyl)-1-(4-piperidin-1-ylcyclohexyl)ethanamine?
The InChIKey is UBUHLLTVKBEOMA-ITXXBFQVSA-N. The full InChI is InChI=1S/C19H28F2N2/c20-16-6-9-18(21)15(12-16)13-19(22)14-4-7-17(8-5-14)23-10-2-1-3-11-23/h6,9,12,14,17,19H,1-5,7-8,10-11,13,22H2/t14?,17?,19-/m1/s1.
What are the key properties of (1R)-2-(2,5-difluorophenyl)-1-(4-piperidin-1-ylcyclohexyl)ethanamine?
(1R)-2-(2,5-difluorophenyl)-1-(4-piperidin-1-ylcyclohexyl)ethanamine has a molecular weight of 322.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(2,5-difluorophenyl)-1-(4-piperidin-1-ylcyclohexyl)ethanamine is sourced from PubChem (CID 53321497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).