(1R)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-fluorophenyl]ethanamine

C16H26FN3 — CID 63368625

IUPAC(1R)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1c(F)cccc1N1CCC(CN(C)C)CC1
InChIInChI=1S/C16H26FN3/c1-12(18)16-14(17)5-4-6-15(16)20-9-7-13(8-10-20)11-19(2)3/h4-6,12-13H,7-11,18H2,1-3H3/t12-/m1/s1
InChIKeyRZUCKWPSHSULIJ-GFCCVEGCSA-N
MW279.40 g/mol
LogP2.62
Rot. Bonds4

About (1R)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-fluorophenyl]ethanamine

(1R)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-fluorophenyl]ethanamine (PubChem CID 63368625) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is (1R)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-fluorophenyl]ethanamine
PubChem CID63368625
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name(1R)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1c(F)cccc1N1CCC(CN(C)C)CC1
InChIInChI=1S/C16H26FN3/c1-12(18)16-14(17)5-4-6-15(16)20-9-7-13(8-10-20)11-19(2)3/h4-6,12-13H,7-11,18H2,1-3H3/t12-/m1/s1
InChIKeyRZUCKWPSHSULIJ-GFCCVEGCSA-N
XLogP2.62
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-fluorophenyl]ethanamine?
The IUPAC name of (1R)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-fluorophenyl]ethanamine (CID 63368625) is (1R)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-fluorophenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-fluorophenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-fluorophenyl]ethanamine is C[C@@H](N)c1c(F)cccc1N1CCC(CN(C)C)CC1.
What is the InChIKey of (1R)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-fluorophenyl]ethanamine?
The InChIKey is RZUCKWPSHSULIJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H26FN3/c1-12(18)16-14(17)5-4-6-15(16)20-9-7-13(8-10-20)11-19(2)3/h4-6,12-13H,7-11,18H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-fluorophenyl]ethanamine?
(1R)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-fluorophenyl]ethanamine has a molecular weight of 279.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-fluorophenyl]ethanamine is sourced from PubChem (CID 63368625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).