[(1S)-3,3-difluorocyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone

C14H24F2N2O — CID 167026512

IUPAC[(1S)-3,3-difluorocyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)[C@H]2CCCC(F)(F)C2)CC1
InChIInChI=1S/C14H24F2N2O/c1-11(2)17-6-8-18(9-7-17)13(19)12-4-3-5-14(15,16)10-12/h11-12H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyXAFBPHVJGOSHFJ-LBPRGKRZSA-N
MW274.35 g/mol
LogP2.36
Rot. Bonds2

About [(1S)-3,3-difluorocyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone

[(1S)-3,3-difluorocyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 167026512) has the molecular formula C14H24F2N2O and a molecular weight of 274.35 g/mol. Its IUPAC name is [(1S)-3,3-difluorocyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(1S)-3,3-difluorocyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID167026512
Molecular FormulaC14H24F2N2O
Molecular Weight274.35 g/mol
Exact Mass274.19
IUPAC Name[(1S)-3,3-difluorocyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)[C@H]2CCCC(F)(F)C2)CC1
InChIInChI=1S/C14H24F2N2O/c1-11(2)17-6-8-18(9-7-17)13(19)12-4-3-5-14(15,16)10-12/h11-12H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyXAFBPHVJGOSHFJ-LBPRGKRZSA-N
XLogP2.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S)-3,3-difluorocyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [(1S)-3,3-difluorocyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 167026512) is [(1S)-3,3-difluorocyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [(1S)-3,3-difluorocyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [(1S)-3,3-difluorocyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)[C@H]2CCCC(F)(F)C2)CC1.
What is the InChIKey of [(1S)-3,3-difluorocyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is XAFBPHVJGOSHFJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24F2N2O/c1-11(2)17-6-8-18(9-7-17)13(19)12-4-3-5-14(15,16)10-12/h11-12H,3-10H2,1-2H3/t12-/m0/s1.
What are the key properties of [(1S)-3,3-difluorocyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[(1S)-3,3-difluorocyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 274.35 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3,3-difluorocyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 167026512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).