1-[2-[(3S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]ethyl]-4-propan-2-ylpiperazine

C17H34FN3 — CID 170450620

IUPAC1-[2-[(3S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]ethyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CCC2CCN(C(C)C)C[C@H]2F)CC1
InChIInChI=1S/C17H34FN3/c1-14(2)20-11-9-19(10-12-20)7-5-16-6-8-21(15(3)4)13-17(16)18/h14-17H,5-13H2,1-4H3/t16?,17-/m1/s1
InChIKeyPGXPTFHOAJAULT-ZYMOGRSISA-N
MW299.48 g/mol
LogP2.47
Rot. Bonds5

About 1-[2-[(3S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]ethyl]-4-propan-2-ylpiperazine

1-[2-[(3S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]ethyl]-4-propan-2-ylpiperazine (PubChem CID 170450620) has the molecular formula C17H34FN3 and a molecular weight of 299.48 g/mol. Its IUPAC name is 1-[2-[(3S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]ethyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-[(3S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]ethyl]-4-propan-2-ylpiperazine
PubChem CID170450620
Molecular FormulaC17H34FN3
Molecular Weight299.48 g/mol
Exact Mass299.27
IUPAC Name1-[2-[(3S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]ethyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CCC2CCN(C(C)C)C[C@H]2F)CC1
InChIInChI=1S/C17H34FN3/c1-14(2)20-11-9-19(10-12-20)7-5-16-6-8-21(15(3)4)13-17(16)18/h14-17H,5-13H2,1-4H3/t16?,17-/m1/s1
InChIKeyPGXPTFHOAJAULT-ZYMOGRSISA-N
XLogP2.47
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]ethyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[2-[(3S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]ethyl]-4-propan-2-ylpiperazine (CID 170450620) is 1-[2-[(3S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]ethyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[2-[(3S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]ethyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[2-[(3S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]ethyl]-4-propan-2-ylpiperazine is CC(C)N1CCN(CCC2CCN(C(C)C)C[C@H]2F)CC1.
What is the InChIKey of 1-[2-[(3S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]ethyl]-4-propan-2-ylpiperazine?
The InChIKey is PGXPTFHOAJAULT-ZYMOGRSISA-N. The full InChI is InChI=1S/C17H34FN3/c1-14(2)20-11-9-19(10-12-20)7-5-16-6-8-21(15(3)4)13-17(16)18/h14-17H,5-13H2,1-4H3/t16?,17-/m1/s1.
What are the key properties of 1-[2-[(3S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]ethyl]-4-propan-2-ylpiperazine?
1-[2-[(3S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]ethyl]-4-propan-2-ylpiperazine has a molecular weight of 299.48 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]ethyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 170450620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).