1-[(1R,3R)-3-fluorocyclohexyl]-4-propan-2-ylpiperazine

C13H25FN2 — CID 175817482

IUPAC1-[(1R,3R)-3-fluorocyclohexyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN([C@@H]2CCC[C@@H](F)C2)CC1
InChIInChI=1S/C13H25FN2/c1-11(2)15-6-8-16(9-7-15)13-5-3-4-12(14)10-13/h11-13H,3-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyMXRSMDCVJDPPPA-CHWSQXEVSA-N
MW228.35 g/mol
LogP2.29
Rot. Bonds2

About 1-[(1R,3R)-3-fluorocyclohexyl]-4-propan-2-ylpiperazine

1-[(1R,3R)-3-fluorocyclohexyl]-4-propan-2-ylpiperazine (PubChem CID 175817482) has the molecular formula C13H25FN2 and a molecular weight of 228.35 g/mol. Its IUPAC name is 1-[(1R,3R)-3-fluorocyclohexyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(1R,3R)-3-fluorocyclohexyl]-4-propan-2-ylpiperazine
PubChem CID175817482
Molecular FormulaC13H25FN2
Molecular Weight228.35 g/mol
Exact Mass228.20
IUPAC Name1-[(1R,3R)-3-fluorocyclohexyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN([C@@H]2CCC[C@@H](F)C2)CC1
InChIInChI=1S/C13H25FN2/c1-11(2)15-6-8-16(9-7-15)13-5-3-4-12(14)10-13/h11-13H,3-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyMXRSMDCVJDPPPA-CHWSQXEVSA-N
XLogP2.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3R)-3-fluorocyclohexyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(1R,3R)-3-fluorocyclohexyl]-4-propan-2-ylpiperazine (CID 175817482) is 1-[(1R,3R)-3-fluorocyclohexyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(1R,3R)-3-fluorocyclohexyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(1R,3R)-3-fluorocyclohexyl]-4-propan-2-ylpiperazine is CC(C)N1CCN([C@@H]2CCC[C@@H](F)C2)CC1.
What is the InChIKey of 1-[(1R,3R)-3-fluorocyclohexyl]-4-propan-2-ylpiperazine?
The InChIKey is MXRSMDCVJDPPPA-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H25FN2/c1-11(2)15-6-8-16(9-7-15)13-5-3-4-12(14)10-13/h11-13H,3-10H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of 1-[(1R,3R)-3-fluorocyclohexyl]-4-propan-2-ylpiperazine?
1-[(1R,3R)-3-fluorocyclohexyl]-4-propan-2-ylpiperazine has a molecular weight of 228.35 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3R)-3-fluorocyclohexyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 175817482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).