2-[4-(2-hydroxycyclohexyl)piperazin-1-yl]phenol

C16H24N2O2 — CID 110883256

IUPAC2-[4-(2-hydroxycyclohexyl)piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(C2CCCCC2O)CC1
InChIInChI=1S/C16H24N2O2/c19-15-7-3-1-5-13(15)17-9-11-18(12-10-17)14-6-2-4-8-16(14)20/h1,3,5,7,14,16,19-20H,2,4,6,8-12H2
InChIKeyAQTDRGDCSVOVKR-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.82
Rot. Bonds2

About 2-[4-(2-hydroxycyclohexyl)piperazin-1-yl]phenol

2-[4-(2-hydroxycyclohexyl)piperazin-1-yl]phenol (PubChem CID 110883256) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[4-(2-hydroxycyclohexyl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-(2-hydroxycyclohexyl)piperazin-1-yl]phenol
PubChem CID110883256
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[4-(2-hydroxycyclohexyl)piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(C2CCCCC2O)CC1
InChIInChI=1S/C16H24N2O2/c19-15-7-3-1-5-13(15)17-9-11-18(12-10-17)14-6-2-4-8-16(14)20/h1,3,5,7,14,16,19-20H,2,4,6,8-12H2
InChIKeyAQTDRGDCSVOVKR-UHFFFAOYSA-N
XLogP1.82
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxycyclohexyl)piperazin-1-yl]phenol?
The IUPAC name of 2-[4-(2-hydroxycyclohexyl)piperazin-1-yl]phenol (CID 110883256) is 2-[4-(2-hydroxycyclohexyl)piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-(2-hydroxycyclohexyl)piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-(2-hydroxycyclohexyl)piperazin-1-yl]phenol is Oc1ccccc1N1CCN(C2CCCCC2O)CC1.
What is the InChIKey of 2-[4-(2-hydroxycyclohexyl)piperazin-1-yl]phenol?
The InChIKey is AQTDRGDCSVOVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-15-7-3-1-5-13(15)17-9-11-18(12-10-17)14-6-2-4-8-16(14)20/h1,3,5,7,14,16,19-20H,2,4,6,8-12H2.
What are the key properties of 2-[4-(2-hydroxycyclohexyl)piperazin-1-yl]phenol?
2-[4-(2-hydroxycyclohexyl)piperazin-1-yl]phenol has a molecular weight of 276.38 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxycyclohexyl)piperazin-1-yl]phenol is sourced from PubChem (CID 110883256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).