2-[(2R)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol

C20H30N4O2 — CID 28786044

IUPAC2-[(2R)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol
SMILESOCC[C@@H]1CN(Cc2cccc3nonc23)CCN1CC1CCCCC1
InChIInChI=1S/C20H30N4O2/c25-12-9-18-15-23(10-11-24(18)13-16-5-2-1-3-6-16)14-17-7-4-8-19-20(17)22-26-21-19/h4,7-8,16,18,25H,1-3,5-6,9-15H2/t18-/m1/s1
InChIKeyKHSGCVFQQGHDII-GOSISDBHSA-N
MW358.49 g/mol
LogP2.67
Rot. Bonds6

About 2-[(2R)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol

2-[(2R)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol (PubChem CID 28786044) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-[(2R)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol
PubChem CID28786044
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name2-[(2R)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol
SMILESOCC[C@@H]1CN(Cc2cccc3nonc23)CCN1CC1CCCCC1
InChIInChI=1S/C20H30N4O2/c25-12-9-18-15-23(10-11-24(18)13-16-5-2-1-3-6-16)14-17-7-4-8-19-20(17)22-26-21-19/h4,7-8,16,18,25H,1-3,5-6,9-15H2/t18-/m1/s1
InChIKeyKHSGCVFQQGHDII-GOSISDBHSA-N
XLogP2.67
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol (CID 28786044) is 2-[(2R)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol is OCC[C@@H]1CN(Cc2cccc3nonc23)CCN1CC1CCCCC1.
What is the InChIKey of 2-[(2R)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol?
The InChIKey is KHSGCVFQQGHDII-GOSISDBHSA-N. The full InChI is InChI=1S/C20H30N4O2/c25-12-9-18-15-23(10-11-24(18)13-16-5-2-1-3-6-16)14-17-7-4-8-19-20(17)22-26-21-19/h4,7-8,16,18,25H,1-3,5-6,9-15H2/t18-/m1/s1.
What are the key properties of 2-[(2R)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol?
2-[(2R)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol has a molecular weight of 358.49 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 28786044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).