2-[(2R)-4-(cyclohexylmethyl)-1-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol

C24H34N2O — CID 90655530

IUPAC2-[(2R)-4-(cyclohexylmethyl)-1-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol
SMILESOCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1cccc2ccccc12
InChIInChI=1S/C24H34N2O/c27-16-13-23-19-25(17-20-7-2-1-3-8-20)14-15-26(23)18-22-11-6-10-21-9-4-5-12-24(21)22/h4-6,9-12,20,23,27H,1-3,7-8,13-19H2/t23-/m1/s1
InChIKeyTZAWKCIVGVDWDQ-HSZRJFAPSA-N
MW366.55 g/mol
LogP4.29
Rot. Bonds6

About 2-[(2R)-4-(cyclohexylmethyl)-1-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol

2-[(2R)-4-(cyclohexylmethyl)-1-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 90655530) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is 2-[(2R)-4-(cyclohexylmethyl)-1-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-(cyclohexylmethyl)-1-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol
PubChem CID90655530
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Name2-[(2R)-4-(cyclohexylmethyl)-1-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol
SMILESOCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1cccc2ccccc12
InChIInChI=1S/C24H34N2O/c27-16-13-23-19-25(17-20-7-2-1-3-8-20)14-15-26(23)18-22-11-6-10-21-9-4-5-12-24(21)22/h4-6,9-12,20,23,27H,1-3,7-8,13-19H2/t23-/m1/s1
InChIKeyTZAWKCIVGVDWDQ-HSZRJFAPSA-N
XLogP4.29
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(cyclohexylmethyl)-1-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-(cyclohexylmethyl)-1-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol (CID 90655530) is 2-[(2R)-4-(cyclohexylmethyl)-1-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-(cyclohexylmethyl)-1-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-(cyclohexylmethyl)-1-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol is OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1cccc2ccccc12.
What is the InChIKey of 2-[(2R)-4-(cyclohexylmethyl)-1-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is TZAWKCIVGVDWDQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H34N2O/c27-16-13-23-19-25(17-20-7-2-1-3-8-20)14-15-26(23)18-22-11-6-10-21-9-4-5-12-24(21)22/h4-6,9-12,20,23,27H,1-3,7-8,13-19H2/t23-/m1/s1.
What are the key properties of 2-[(2R)-4-(cyclohexylmethyl)-1-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol?
2-[(2R)-4-(cyclohexylmethyl)-1-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 366.55 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(cyclohexylmethyl)-1-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 90655530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).