1-[(1S,6R)-6-ethoxy-2,2-difluorocyclohexyl]-4-propan-2-ylpiperazine

C15H28F2N2O — CID 163428700

IUPAC1-[(1S,6R)-6-ethoxy-2,2-difluorocyclohexyl]-4-propan-2-ylpiperazine
SMILESCCO[C@@H]1CCCC(F)(F)[C@H]1N1CCN(C(C)C)CC1
InChIInChI=1S/C15H28F2N2O/c1-4-20-13-6-5-7-15(16,17)14(13)19-10-8-18(9-11-19)12(2)3/h12-14H,4-11H2,1-3H3/t13-,14+/m1/s1
InChIKeyGHYMPMARNGUBPA-KGLIPLIRSA-N
MW290.40 g/mol
LogP2.61
Rot. Bonds4

About 1-[(1S,6R)-6-ethoxy-2,2-difluorocyclohexyl]-4-propan-2-ylpiperazine

1-[(1S,6R)-6-ethoxy-2,2-difluorocyclohexyl]-4-propan-2-ylpiperazine (PubChem CID 163428700) has the molecular formula C15H28F2N2O and a molecular weight of 290.40 g/mol. Its IUPAC name is 1-[(1S,6R)-6-ethoxy-2,2-difluorocyclohexyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(1S,6R)-6-ethoxy-2,2-difluorocyclohexyl]-4-propan-2-ylpiperazine
PubChem CID163428700
Molecular FormulaC15H28F2N2O
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Name1-[(1S,6R)-6-ethoxy-2,2-difluorocyclohexyl]-4-propan-2-ylpiperazine
SMILESCCO[C@@H]1CCCC(F)(F)[C@H]1N1CCN(C(C)C)CC1
InChIInChI=1S/C15H28F2N2O/c1-4-20-13-6-5-7-15(16,17)14(13)19-10-8-18(9-11-19)12(2)3/h12-14H,4-11H2,1-3H3/t13-,14+/m1/s1
InChIKeyGHYMPMARNGUBPA-KGLIPLIRSA-N
XLogP2.61
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,6R)-6-ethoxy-2,2-difluorocyclohexyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(1S,6R)-6-ethoxy-2,2-difluorocyclohexyl]-4-propan-2-ylpiperazine (CID 163428700) is 1-[(1S,6R)-6-ethoxy-2,2-difluorocyclohexyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(1S,6R)-6-ethoxy-2,2-difluorocyclohexyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(1S,6R)-6-ethoxy-2,2-difluorocyclohexyl]-4-propan-2-ylpiperazine is CCO[C@@H]1CCCC(F)(F)[C@H]1N1CCN(C(C)C)CC1.
What is the InChIKey of 1-[(1S,6R)-6-ethoxy-2,2-difluorocyclohexyl]-4-propan-2-ylpiperazine?
The InChIKey is GHYMPMARNGUBPA-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H28F2N2O/c1-4-20-13-6-5-7-15(16,17)14(13)19-10-8-18(9-11-19)12(2)3/h12-14H,4-11H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of 1-[(1S,6R)-6-ethoxy-2,2-difluorocyclohexyl]-4-propan-2-ylpiperazine?
1-[(1S,6R)-6-ethoxy-2,2-difluorocyclohexyl]-4-propan-2-ylpiperazine has a molecular weight of 290.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,6R)-6-ethoxy-2,2-difluorocyclohexyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 163428700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).