3-fluoro-4-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine

C16H24FN3 — CID 97436809

IUPAC3-fluoro-4-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine
SMILESFc1cnccc1N1CCC[C@H](CN2CCCCC2)C1
InChIInChI=1S/C16H24FN3/c17-15-11-18-7-6-16(15)20-10-4-5-14(13-20)12-19-8-2-1-3-9-19/h6-7,11,14H,1-5,8-10,12-13H2/t14-/m1/s1
InChIKeyRQEOTOKPKBUZAQ-CQSZACIVSA-N
MW277.39 g/mol
LogP2.92
Rot. Bonds3

About 3-fluoro-4-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine

3-fluoro-4-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine (PubChem CID 97436809) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-fluoro-4-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name3-fluoro-4-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine
PubChem CID97436809
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name3-fluoro-4-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine
SMILESFc1cnccc1N1CCC[C@H](CN2CCCCC2)C1
InChIInChI=1S/C16H24FN3/c17-15-11-18-7-6-16(15)20-10-4-5-14(13-20)12-19-8-2-1-3-9-19/h6-7,11,14H,1-5,8-10,12-13H2/t14-/m1/s1
InChIKeyRQEOTOKPKBUZAQ-CQSZACIVSA-N
XLogP2.92
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine?
The IUPAC name of 3-fluoro-4-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine (CID 97436809) is 3-fluoro-4-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine.
What is the SMILES notation for 3-fluoro-4-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine?
The canonical SMILES for 3-fluoro-4-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine is Fc1cnccc1N1CCC[C@H](CN2CCCCC2)C1.
What is the InChIKey of 3-fluoro-4-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine?
The InChIKey is RQEOTOKPKBUZAQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24FN3/c17-15-11-18-7-6-16(15)20-10-4-5-14(13-20)12-19-8-2-1-3-9-19/h6-7,11,14H,1-5,8-10,12-13H2/t14-/m1/s1.
What are the key properties of 3-fluoro-4-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine?
3-fluoro-4-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine has a molecular weight of 277.39 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(3R)-3-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine is sourced from PubChem (CID 97436809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).