1-[(2R)-2,3-dimethylbutyl]-N-[(4S)-6-fluoro-4-methylhexyl]-N-methylpiperidin-4-amine

C19H39FN2 — CID 155208499

IUPAC1-[(2R)-2,3-dimethylbutyl]-N-[(4S)-6-fluoro-4-methylhexyl]-N-methylpiperidin-4-amine
SMILESCC(C)[C@@H](C)CN1CCC(N(C)CCC[C@H](C)CCF)CC1
InChIInChI=1S/C19H39FN2/c1-16(2)18(4)15-22-13-9-19(10-14-22)21(5)12-6-7-17(3)8-11-20/h16-19H,6-15H2,1-5H3/t17-,18-/m0/s1
InChIKeyDFXWKLRGOGPJKY-ROUUACIJSA-N
MW314.53 g/mol
LogP4.45
Rot. Bonds10

About 1-[(2R)-2,3-dimethylbutyl]-N-[(4S)-6-fluoro-4-methylhexyl]-N-methylpiperidin-4-amine

1-[(2R)-2,3-dimethylbutyl]-N-[(4S)-6-fluoro-4-methylhexyl]-N-methylpiperidin-4-amine (PubChem CID 155208499) has the molecular formula C19H39FN2 and a molecular weight of 314.53 g/mol. Its IUPAC name is 1-[(2R)-2,3-dimethylbutyl]-N-[(4S)-6-fluoro-4-methylhexyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2R)-2,3-dimethylbutyl]-N-[(4S)-6-fluoro-4-methylhexyl]-N-methylpiperidin-4-amine
PubChem CID155208499
Molecular FormulaC19H39FN2
Molecular Weight314.53 g/mol
Exact Mass314.31
IUPAC Name1-[(2R)-2,3-dimethylbutyl]-N-[(4S)-6-fluoro-4-methylhexyl]-N-methylpiperidin-4-amine
SMILESCC(C)[C@@H](C)CN1CCC(N(C)CCC[C@H](C)CCF)CC1
InChIInChI=1S/C19H39FN2/c1-16(2)18(4)15-22-13-9-19(10-14-22)21(5)12-6-7-17(3)8-11-20/h16-19H,6-15H2,1-5H3/t17-,18-/m0/s1
InChIKeyDFXWKLRGOGPJKY-ROUUACIJSA-N
XLogP4.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.53
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2,3-dimethylbutyl]-N-[(4S)-6-fluoro-4-methylhexyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[(2R)-2,3-dimethylbutyl]-N-[(4S)-6-fluoro-4-methylhexyl]-N-methylpiperidin-4-amine (CID 155208499) is 1-[(2R)-2,3-dimethylbutyl]-N-[(4S)-6-fluoro-4-methylhexyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(2R)-2,3-dimethylbutyl]-N-[(4S)-6-fluoro-4-methylhexyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[(2R)-2,3-dimethylbutyl]-N-[(4S)-6-fluoro-4-methylhexyl]-N-methylpiperidin-4-amine is CC(C)[C@@H](C)CN1CCC(N(C)CCC[C@H](C)CCF)CC1.
What is the InChIKey of 1-[(2R)-2,3-dimethylbutyl]-N-[(4S)-6-fluoro-4-methylhexyl]-N-methylpiperidin-4-amine?
The InChIKey is DFXWKLRGOGPJKY-ROUUACIJSA-N. The full InChI is InChI=1S/C19H39FN2/c1-16(2)18(4)15-22-13-9-19(10-14-22)21(5)12-6-7-17(3)8-11-20/h16-19H,6-15H2,1-5H3/t17-,18-/m0/s1.
What are the key properties of 1-[(2R)-2,3-dimethylbutyl]-N-[(4S)-6-fluoro-4-methylhexyl]-N-methylpiperidin-4-amine?
1-[(2R)-2,3-dimethylbutyl]-N-[(4S)-6-fluoro-4-methylhexyl]-N-methylpiperidin-4-amine has a molecular weight of 314.53 g/mol, XLogP of 4.45, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2,3-dimethylbutyl]-N-[(4S)-6-fluoro-4-methylhexyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 155208499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).