2-[(2S)-1-benzyl-4-(cyclohexylmethyl)piperazin-2-yl]ethanol

C20H32N2O — CID 30675158

IUPAC2-[(2S)-1-benzyl-4-(cyclohexylmethyl)piperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccccc1
InChIInChI=1S/C20H32N2O/c23-14-11-20-17-21(15-18-7-3-1-4-8-18)12-13-22(20)16-19-9-5-2-6-10-19/h2,5-6,9-10,18,20,23H,1,3-4,7-8,11-17H2/t20-/m0/s1
InChIKeyZLMIRDVHICHCSB-FQEVSTJZSA-N
MW316.49 g/mol
LogP3.14
Rot. Bonds6

About 2-[(2S)-1-benzyl-4-(cyclohexylmethyl)piperazin-2-yl]ethanol

2-[(2S)-1-benzyl-4-(cyclohexylmethyl)piperazin-2-yl]ethanol (PubChem CID 30675158) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 2-[(2S)-1-benzyl-4-(cyclohexylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-benzyl-4-(cyclohexylmethyl)piperazin-2-yl]ethanol
PubChem CID30675158
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name2-[(2S)-1-benzyl-4-(cyclohexylmethyl)piperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccccc1
InChIInChI=1S/C20H32N2O/c23-14-11-20-17-21(15-18-7-3-1-4-8-18)12-13-22(20)16-19-9-5-2-6-10-19/h2,5-6,9-10,18,20,23H,1,3-4,7-8,11-17H2/t20-/m0/s1
InChIKeyZLMIRDVHICHCSB-FQEVSTJZSA-N
XLogP3.14
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-benzyl-4-(cyclohexylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-benzyl-4-(cyclohexylmethyl)piperazin-2-yl]ethanol (CID 30675158) is 2-[(2S)-1-benzyl-4-(cyclohexylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-benzyl-4-(cyclohexylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-benzyl-4-(cyclohexylmethyl)piperazin-2-yl]ethanol is OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccccc1.
What is the InChIKey of 2-[(2S)-1-benzyl-4-(cyclohexylmethyl)piperazin-2-yl]ethanol?
The InChIKey is ZLMIRDVHICHCSB-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H32N2O/c23-14-11-20-17-21(15-18-7-3-1-4-8-18)12-13-22(20)16-19-9-5-2-6-10-19/h2,5-6,9-10,18,20,23H,1,3-4,7-8,11-17H2/t20-/m0/s1.
What are the key properties of 2-[(2S)-1-benzyl-4-(cyclohexylmethyl)piperazin-2-yl]ethanol?
2-[(2S)-1-benzyl-4-(cyclohexylmethyl)piperazin-2-yl]ethanol has a molecular weight of 316.49 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-benzyl-4-(cyclohexylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 30675158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).