2-cyclohexyl-1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]ethanone

C17H30N2O2 — CID 71783042

IUPAC2-cyclohexyl-1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C17H30N2O2/c20-16(15-6-7-15)13-18-8-10-19(11-9-18)17(21)12-14-4-2-1-3-5-14/h14-16,20H,1-13H2
InChIKeyBVKJTECRSYUJHZ-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.87
Rot. Bonds5

About 2-cyclohexyl-1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]ethanone

2-cyclohexyl-1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]ethanone (PubChem CID 71783042) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]ethanone
PubChem CID71783042
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-cyclohexyl-1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C17H30N2O2/c20-16(15-6-7-15)13-18-8-10-19(11-9-18)17(21)12-14-4-2-1-3-5-14/h14-16,20H,1-13H2
InChIKeyBVKJTECRSYUJHZ-UHFFFAOYSA-N
XLogP1.87
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]ethanone (CID 71783042) is 2-cyclohexyl-1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]ethanone is O=C(CC1CCCCC1)N1CCN(CC(O)C2CC2)CC1.
What is the InChIKey of 2-cyclohexyl-1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]ethanone?
The InChIKey is BVKJTECRSYUJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c20-16(15-6-7-15)13-18-8-10-19(11-9-18)17(21)12-14-4-2-1-3-5-14/h14-16,20H,1-13H2.
What are the key properties of 2-cyclohexyl-1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]ethanone?
2-cyclohexyl-1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]ethanone has a molecular weight of 294.44 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71783042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).