ethane;N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine

C19H35FN2 — CID 169123370

IUPACethane;N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine
SMILESCC.CC.Cc1cc(F)ccc1N(C)C1CCN(C)CC1C
InChIInChI=1S/C15H23FN2.2C2H6/c1-11-9-13(16)5-6-14(11)18(4)15-7-8-17(3)10-12(15)2;2*1-2/h5-6,9,12,15H,7-8,10H2,1-4H3;2*1-2H3
InChIKeyHSDJWEDJJPGXJA-UHFFFAOYSA-N
MW310.50 g/mol
LogP4.96
Rot. Bonds2

About ethane;N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine

ethane;N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine (PubChem CID 169123370) has the molecular formula C19H35FN2 and a molecular weight of 310.50 g/mol. Its IUPAC name is ethane;N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine.

Molecular Properties

Compound Nameethane;N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine
PubChem CID169123370
Molecular FormulaC19H35FN2
Molecular Weight310.50 g/mol
Exact Mass310.28
IUPAC Nameethane;N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine
SMILESCC.CC.Cc1cc(F)ccc1N(C)C1CCN(C)CC1C
InChIInChI=1S/C15H23FN2.2C2H6/c1-11-9-13(16)5-6-14(11)18(4)15-7-8-17(3)10-12(15)2;2*1-2/h5-6,9,12,15H,7-8,10H2,1-4H3;2*1-2H3
InChIKeyHSDJWEDJJPGXJA-UHFFFAOYSA-N
XLogP4.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.50
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine?
The IUPAC name of ethane;N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine (CID 169123370) is ethane;N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine.
What is the SMILES notation for ethane;N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine?
The canonical SMILES for ethane;N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine is CC.CC.Cc1cc(F)ccc1N(C)C1CCN(C)CC1C.
What is the InChIKey of ethane;N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine?
The InChIKey is HSDJWEDJJPGXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2.2C2H6/c1-11-9-13(16)5-6-14(11)18(4)15-7-8-17(3)10-12(15)2;2*1-2/h5-6,9,12,15H,7-8,10H2,1-4H3;2*1-2H3.
What are the key properties of ethane;N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine?
ethane;N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine has a molecular weight of 310.50 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine is sourced from PubChem (CID 169123370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).