1-[(1-fluoro-4-propan-2-ylcyclohexyl)methyl]-4-propan-2-ylpiperazine

C17H33FN2 — CID 171598690

IUPAC1-[(1-fluoro-4-propan-2-ylcyclohexyl)methyl]-4-propan-2-ylpiperazine
SMILESCC(C)C1CCC(F)(CN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H33FN2/c1-14(2)16-5-7-17(18,8-6-16)13-19-9-11-20(12-10-19)15(3)4/h14-16H,5-13H2,1-4H3
InChIKeyRTJGQKQHAPVCSG-UHFFFAOYSA-N
MW284.46 g/mol
LogP3.57
Rot. Bonds4

About 1-[(1-fluoro-4-propan-2-ylcyclohexyl)methyl]-4-propan-2-ylpiperazine

1-[(1-fluoro-4-propan-2-ylcyclohexyl)methyl]-4-propan-2-ylpiperazine (PubChem CID 171598690) has the molecular formula C17H33FN2 and a molecular weight of 284.46 g/mol. Its IUPAC name is 1-[(1-fluoro-4-propan-2-ylcyclohexyl)methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(1-fluoro-4-propan-2-ylcyclohexyl)methyl]-4-propan-2-ylpiperazine
PubChem CID171598690
Molecular FormulaC17H33FN2
Molecular Weight284.46 g/mol
Exact Mass284.26
IUPAC Name1-[(1-fluoro-4-propan-2-ylcyclohexyl)methyl]-4-propan-2-ylpiperazine
SMILESCC(C)C1CCC(F)(CN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H33FN2/c1-14(2)16-5-7-17(18,8-6-16)13-19-9-11-20(12-10-19)15(3)4/h14-16H,5-13H2,1-4H3
InChIKeyRTJGQKQHAPVCSG-UHFFFAOYSA-N
XLogP3.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.46
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-fluoro-4-propan-2-ylcyclohexyl)methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(1-fluoro-4-propan-2-ylcyclohexyl)methyl]-4-propan-2-ylpiperazine (CID 171598690) is 1-[(1-fluoro-4-propan-2-ylcyclohexyl)methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(1-fluoro-4-propan-2-ylcyclohexyl)methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(1-fluoro-4-propan-2-ylcyclohexyl)methyl]-4-propan-2-ylpiperazine is CC(C)C1CCC(F)(CN2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-[(1-fluoro-4-propan-2-ylcyclohexyl)methyl]-4-propan-2-ylpiperazine?
The InChIKey is RTJGQKQHAPVCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33FN2/c1-14(2)16-5-7-17(18,8-6-16)13-19-9-11-20(12-10-19)15(3)4/h14-16H,5-13H2,1-4H3.
What are the key properties of 1-[(1-fluoro-4-propan-2-ylcyclohexyl)methyl]-4-propan-2-ylpiperazine?
1-[(1-fluoro-4-propan-2-ylcyclohexyl)methyl]-4-propan-2-ylpiperazine has a molecular weight of 284.46 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-fluoro-4-propan-2-ylcyclohexyl)methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 171598690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).