(2S)-2-fluoro-1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine

C16H31FN2 — CID 176797132

IUPAC(2S)-2-fluoro-1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine
SMILESCC(C)C1CCC(N2CCN(C(C)C)[C@@H](F)C2)CC1
InChIInChI=1S/C16H31FN2/c1-12(2)14-5-7-15(8-6-14)18-9-10-19(13(3)4)16(17)11-18/h12-16H,5-11H2,1-4H3/t14?,15?,16-/m1/s1
InChIKeyHIBZZBCMAPOLEU-UYSNPLJNSA-N
MW270.44 g/mol
LogP3.52
Rot. Bonds3

About (2S)-2-fluoro-1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine

(2S)-2-fluoro-1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine (PubChem CID 176797132) has the molecular formula C16H31FN2 and a molecular weight of 270.44 g/mol. Its IUPAC name is (2S)-2-fluoro-1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine.

Molecular Properties

Compound Name(2S)-2-fluoro-1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine
PubChem CID176797132
Molecular FormulaC16H31FN2
Molecular Weight270.44 g/mol
Exact Mass270.25
IUPAC Name(2S)-2-fluoro-1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine
SMILESCC(C)C1CCC(N2CCN(C(C)C)[C@@H](F)C2)CC1
InChIInChI=1S/C16H31FN2/c1-12(2)14-5-7-15(8-6-14)18-9-10-19(13(3)4)16(17)11-18/h12-16H,5-11H2,1-4H3/t14?,15?,16-/m1/s1
InChIKeyHIBZZBCMAPOLEU-UYSNPLJNSA-N
XLogP3.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine?
The IUPAC name of (2S)-2-fluoro-1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine (CID 176797132) is (2S)-2-fluoro-1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine.
What is the SMILES notation for (2S)-2-fluoro-1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine?
The canonical SMILES for (2S)-2-fluoro-1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine is CC(C)C1CCC(N2CCN(C(C)C)[C@@H](F)C2)CC1.
What is the InChIKey of (2S)-2-fluoro-1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine?
The InChIKey is HIBZZBCMAPOLEU-UYSNPLJNSA-N. The full InChI is InChI=1S/C16H31FN2/c1-12(2)14-5-7-15(8-6-14)18-9-10-19(13(3)4)16(17)11-18/h12-16H,5-11H2,1-4H3/t14?,15?,16-/m1/s1.
What are the key properties of (2S)-2-fluoro-1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine?
(2S)-2-fluoro-1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine has a molecular weight of 270.44 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine is sourced from PubChem (CID 176797132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).