(5R)-1-(4-hydroxycyclohexyl)-5-methylpiperazin-2-one;hydrochloride

C11H21ClN2O2 — CID 67379759

IUPAC(5R)-1-(4-hydroxycyclohexyl)-5-methylpiperazin-2-one;hydrochloride
SMILESC[C@@H]1CN(C2CCC(O)CC2)C(=O)CN1.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-8-7-13(11(15)6-12-8)9-2-4-10(14)5-3-9;/h8-10,12,14H,2-7H2,1H3;1H/t8-,9?,10?;/m1./s1
InChIKeyRXASHGPUUGVWSC-PCGKGCSSSA-N
MW248.75 g/mol
LogP0.53
Rot. Bonds1

About (5R)-1-(4-hydroxycyclohexyl)-5-methylpiperazin-2-one;hydrochloride

(5R)-1-(4-hydroxycyclohexyl)-5-methylpiperazin-2-one;hydrochloride (PubChem CID 67379759) has the molecular formula C11H21ClN2O2 and a molecular weight of 248.75 g/mol. Its IUPAC name is (5R)-1-(4-hydroxycyclohexyl)-5-methylpiperazin-2-one;hydrochloride.

Molecular Properties

Compound Name(5R)-1-(4-hydroxycyclohexyl)-5-methylpiperazin-2-one;hydrochloride
PubChem CID67379759
Molecular FormulaC11H21ClN2O2
Molecular Weight248.75 g/mol
Exact Mass248.13
IUPAC Name(5R)-1-(4-hydroxycyclohexyl)-5-methylpiperazin-2-one;hydrochloride
SMILESC[C@@H]1CN(C2CCC(O)CC2)C(=O)CN1.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-8-7-13(11(15)6-12-8)9-2-4-10(14)5-3-9;/h8-10,12,14H,2-7H2,1H3;1H/t8-,9?,10?;/m1./s1
InChIKeyRXASHGPUUGVWSC-PCGKGCSSSA-N
XLogP0.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-(4-hydroxycyclohexyl)-5-methylpiperazin-2-one;hydrochloride?
The IUPAC name of (5R)-1-(4-hydroxycyclohexyl)-5-methylpiperazin-2-one;hydrochloride (CID 67379759) is (5R)-1-(4-hydroxycyclohexyl)-5-methylpiperazin-2-one;hydrochloride.
What is the SMILES notation for (5R)-1-(4-hydroxycyclohexyl)-5-methylpiperazin-2-one;hydrochloride?
The canonical SMILES for (5R)-1-(4-hydroxycyclohexyl)-5-methylpiperazin-2-one;hydrochloride is C[C@@H]1CN(C2CCC(O)CC2)C(=O)CN1.Cl.
What is the InChIKey of (5R)-1-(4-hydroxycyclohexyl)-5-methylpiperazin-2-one;hydrochloride?
The InChIKey is RXASHGPUUGVWSC-PCGKGCSSSA-N. The full InChI is InChI=1S/C11H20N2O2.ClH/c1-8-7-13(11(15)6-12-8)9-2-4-10(14)5-3-9;/h8-10,12,14H,2-7H2,1H3;1H/t8-,9?,10?;/m1./s1.
What are the key properties of (5R)-1-(4-hydroxycyclohexyl)-5-methylpiperazin-2-one;hydrochloride?
(5R)-1-(4-hydroxycyclohexyl)-5-methylpiperazin-2-one;hydrochloride has a molecular weight of 248.75 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(4-hydroxycyclohexyl)-5-methylpiperazin-2-one;hydrochloride is sourced from PubChem (CID 67379759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).