(3S,4S)-3-fluoro-1-piperidin-3-yl-4-propan-2-ylpiperidine

C13H25FN2 — CID 166934624

IUPAC(3S,4S)-3-fluoro-1-piperidin-3-yl-4-propan-2-ylpiperidine
SMILESCC(C)[C@@H]1CCN(C2CCCNC2)C[C@H]1F
InChIInChI=1S/C13H25FN2/c1-10(2)12-5-7-16(9-13(12)14)11-4-3-6-15-8-11/h10-13,15H,3-9H2,1-2H3/t11?,12-,13+/m0/s1
InChIKeyHTNLMAIWOYGLTH-LWNNLKQOSA-N
MW228.35 g/mol
LogP2.05
Rot. Bonds2

About (3S,4S)-3-fluoro-1-piperidin-3-yl-4-propan-2-ylpiperidine

(3S,4S)-3-fluoro-1-piperidin-3-yl-4-propan-2-ylpiperidine (PubChem CID 166934624) has the molecular formula C13H25FN2 and a molecular weight of 228.35 g/mol. Its IUPAC name is (3S,4S)-3-fluoro-1-piperidin-3-yl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name(3S,4S)-3-fluoro-1-piperidin-3-yl-4-propan-2-ylpiperidine
PubChem CID166934624
Molecular FormulaC13H25FN2
Molecular Weight228.35 g/mol
Exact Mass228.20
IUPAC Name(3S,4S)-3-fluoro-1-piperidin-3-yl-4-propan-2-ylpiperidine
SMILESCC(C)[C@@H]1CCN(C2CCCNC2)C[C@H]1F
InChIInChI=1S/C13H25FN2/c1-10(2)12-5-7-16(9-13(12)14)11-4-3-6-15-8-11/h10-13,15H,3-9H2,1-2H3/t11?,12-,13+/m0/s1
InChIKeyHTNLMAIWOYGLTH-LWNNLKQOSA-N
XLogP2.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-fluoro-1-piperidin-3-yl-4-propan-2-ylpiperidine?
The IUPAC name of (3S,4S)-3-fluoro-1-piperidin-3-yl-4-propan-2-ylpiperidine (CID 166934624) is (3S,4S)-3-fluoro-1-piperidin-3-yl-4-propan-2-ylpiperidine.
What is the SMILES notation for (3S,4S)-3-fluoro-1-piperidin-3-yl-4-propan-2-ylpiperidine?
The canonical SMILES for (3S,4S)-3-fluoro-1-piperidin-3-yl-4-propan-2-ylpiperidine is CC(C)[C@@H]1CCN(C2CCCNC2)C[C@H]1F.
What is the InChIKey of (3S,4S)-3-fluoro-1-piperidin-3-yl-4-propan-2-ylpiperidine?
The InChIKey is HTNLMAIWOYGLTH-LWNNLKQOSA-N. The full InChI is InChI=1S/C13H25FN2/c1-10(2)12-5-7-16(9-13(12)14)11-4-3-6-15-8-11/h10-13,15H,3-9H2,1-2H3/t11?,12-,13+/m0/s1.
What are the key properties of (3S,4S)-3-fluoro-1-piperidin-3-yl-4-propan-2-ylpiperidine?
(3S,4S)-3-fluoro-1-piperidin-3-yl-4-propan-2-ylpiperidine has a molecular weight of 228.35 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-fluoro-1-piperidin-3-yl-4-propan-2-ylpiperidine is sourced from PubChem (CID 166934624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).