(2S,4R)-2-(2,6-difluorophenyl)-N,1-diethylpiperidin-4-amine;molecular hydrogen

C15H24F2N2 — CID 165141961

IUPAC(2S,4R)-2-(2,6-difluorophenyl)-N,1-diethylpiperidin-4-amine;molecular hydrogen
SMILESCCN[C@@H]1CCN(CC)[C@H](c2c(F)cccc2F)C1.[H][H]
InChIInChI=1S/C15H22F2N2.H2/c1-3-18-11-8-9-19(4-2)14(10-11)15-12(16)6-5-7-13(15)17;/h5-7,11,14,18H,3-4,8-10H2,1-2H3;1H/t11-,14+;/m1./s1
InChIKeyVMDHBUKXHJSBLJ-GGMFNZDASA-N
MW270.37 g/mol
LogP3.35
Rot. Bonds4

About (2S,4R)-2-(2,6-difluorophenyl)-N,1-diethylpiperidin-4-amine;molecular hydrogen

(2S,4R)-2-(2,6-difluorophenyl)-N,1-diethylpiperidin-4-amine;molecular hydrogen (PubChem CID 165141961) has the molecular formula C15H24F2N2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2S,4R)-2-(2,6-difluorophenyl)-N,1-diethylpiperidin-4-amine;molecular hydrogen.

Molecular Properties

Compound Name(2S,4R)-2-(2,6-difluorophenyl)-N,1-diethylpiperidin-4-amine;molecular hydrogen
PubChem CID165141961
Molecular FormulaC15H24F2N2
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2S,4R)-2-(2,6-difluorophenyl)-N,1-diethylpiperidin-4-amine;molecular hydrogen
SMILESCCN[C@@H]1CCN(CC)[C@H](c2c(F)cccc2F)C1.[H][H]
InChIInChI=1S/C15H22F2N2.H2/c1-3-18-11-8-9-19(4-2)14(10-11)15-12(16)6-5-7-13(15)17;/h5-7,11,14,18H,3-4,8-10H2,1-2H3;1H/t11-,14+;/m1./s1
InChIKeyVMDHBUKXHJSBLJ-GGMFNZDASA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-(2,6-difluorophenyl)-N,1-diethylpiperidin-4-amine;molecular hydrogen?
The IUPAC name of (2S,4R)-2-(2,6-difluorophenyl)-N,1-diethylpiperidin-4-amine;molecular hydrogen (CID 165141961) is (2S,4R)-2-(2,6-difluorophenyl)-N,1-diethylpiperidin-4-amine;molecular hydrogen.
What is the SMILES notation for (2S,4R)-2-(2,6-difluorophenyl)-N,1-diethylpiperidin-4-amine;molecular hydrogen?
The canonical SMILES for (2S,4R)-2-(2,6-difluorophenyl)-N,1-diethylpiperidin-4-amine;molecular hydrogen is CCN[C@@H]1CCN(CC)[C@H](c2c(F)cccc2F)C1.[H][H].
What is the InChIKey of (2S,4R)-2-(2,6-difluorophenyl)-N,1-diethylpiperidin-4-amine;molecular hydrogen?
The InChIKey is VMDHBUKXHJSBLJ-GGMFNZDASA-N. The full InChI is InChI=1S/C15H22F2N2.H2/c1-3-18-11-8-9-19(4-2)14(10-11)15-12(16)6-5-7-13(15)17;/h5-7,11,14,18H,3-4,8-10H2,1-2H3;1H/t11-,14+;/m1./s1.
What are the key properties of (2S,4R)-2-(2,6-difluorophenyl)-N,1-diethylpiperidin-4-amine;molecular hydrogen?
(2S,4R)-2-(2,6-difluorophenyl)-N,1-diethylpiperidin-4-amine;molecular hydrogen has a molecular weight of 270.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-(2,6-difluorophenyl)-N,1-diethylpiperidin-4-amine;molecular hydrogen is sourced from PubChem (CID 165141961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).