cyclohex-3-en-1-yl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone

C16H26N2O2 — CID 71783153

IUPACcyclohex-3-en-1-yl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(C1CC=CCC1)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C16H26N2O2/c19-15(13-6-7-13)12-17-8-10-18(11-9-17)16(20)14-4-2-1-3-5-14/h1-2,13-15,19H,3-12H2
InChIKeyAXLQPCIUTAHMAS-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.26
Rot. Bonds4

About cyclohex-3-en-1-yl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone

cyclohex-3-en-1-yl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 71783153) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID71783153
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Namecyclohex-3-en-1-yl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(C1CC=CCC1)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C16H26N2O2/c19-15(13-6-7-13)12-17-8-10-18(11-9-17)16(20)14-4-2-1-3-5-14/h1-2,13-15,19H,3-12H2
InChIKeyAXLQPCIUTAHMAS-UHFFFAOYSA-N
XLogP1.26
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of cyclohex-3-en-1-yl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone (CID 71783153) is cyclohex-3-en-1-yl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohex-3-en-1-yl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone is O=C(C1CC=CCC1)N1CCN(CC(O)C2CC2)CC1.
What is the InChIKey of cyclohex-3-en-1-yl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is AXLQPCIUTAHMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c19-15(13-6-7-13)12-17-8-10-18(11-9-17)16(20)14-4-2-1-3-5-14/h1-2,13-15,19H,3-12H2.
What are the key properties of cyclohex-3-en-1-yl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone?
cyclohex-3-en-1-yl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 278.40 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71783153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).