1-(5-fluoro-2-pyridinyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine

C16H26FN3 — CID 114596815

IUPAC1-(5-fluoro-2-pyridinyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
SMILESCC1CC(C)C(C)N(CCC(N)c2ccc(F)cn2)C1
InChIInChI=1S/C16H26FN3/c1-11-8-12(2)13(3)20(10-11)7-6-15(18)16-5-4-14(17)9-19-16/h4-5,9,11-13,15H,6-8,10,18H2,1-3H3
InChIKeyHMWSXXAEDUMDLY-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.98
Rot. Bonds4

About 1-(5-fluoro-2-pyridinyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine

1-(5-fluoro-2-pyridinyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine (PubChem CID 114596815) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
PubChem CID114596815
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
SMILESCC1CC(C)C(C)N(CCC(N)c2ccc(F)cn2)C1
InChIInChI=1S/C16H26FN3/c1-11-8-12(2)13(3)20(10-11)7-6-15(18)16-5-4-14(17)9-19-16/h4-5,9,11-13,15H,6-8,10,18H2,1-3H3
InChIKeyHMWSXXAEDUMDLY-UHFFFAOYSA-N
XLogP2.98
TPSA42.15 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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine (CID 114596815) is 1-(5-fluoro-2-pyridinyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine is CC1CC(C)C(C)N(CCC(N)c2ccc(F)cn2)C1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine?
The InChIKey is HMWSXXAEDUMDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-11-8-12(2)13(3)20(10-11)7-6-15(18)16-5-4-14(17)9-19-16/h4-5,9,11-13,15H,6-8,10,18H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine?
1-(5-fluoro-2-pyridinyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 114596815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).