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

C24H34N2O — CID 90655531

IUPAC2-[(2S)-4-(cyclohexylmethyl)-1-(naphthalen-2-ylmethyl)piperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccc2ccccc2c1
InChIInChI=1S/C24H34N2O/c27-15-12-24-19-25(17-20-6-2-1-3-7-20)13-14-26(24)18-21-10-11-22-8-4-5-9-23(22)16-21/h4-5,8-11,16,20,24,27H,1-3,6-7,12-15,17-19H2/t24-/m0/s1
InChIKeyPMDDJJIHWAUWIM-DEOSSOPVSA-N
MW366.55 g/mol
LogP4.29
Rot. Bonds6

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

2-[(2S)-4-(cyclohexylmethyl)-1-(naphthalen-2-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 90655531) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is 2-[(2S)-4-(cyclohexylmethyl)-1-(naphthalen-2-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-(cyclohexylmethyl)-1-(naphthalen-2-ylmethyl)piperazin-2-yl]ethanol
PubChem CID90655531
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Name2-[(2S)-4-(cyclohexylmethyl)-1-(naphthalen-2-ylmethyl)piperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccc2ccccc2c1
InChIInChI=1S/C24H34N2O/c27-15-12-24-19-25(17-20-6-2-1-3-7-20)13-14-26(24)18-21-10-11-22-8-4-5-9-23(22)16-21/h4-5,8-11,16,20,24,27H,1-3,6-7,12-15,17-19H2/t24-/m0/s1
InChIKeyPMDDJJIHWAUWIM-DEOSSOPVSA-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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Related Compounds

2-[(2R)-4-(cyclohexylmethyl)-1-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol
CID 90655530
(1S,4R,7S)-2-(cyclohexylmethyl)-5-(naphthalen-1-ylmethyl)-2,5-diazabicyclo[2.2.2]octan-7-ol
CID 127050366
1-(Naphthalen-2-ylmethyl)piperidin-4-ol
CID 764610
2-[4-(Naphthalen-2-ylmethyl)piperazin-1-yl]ethanol
CID 767847
1-(9-Anthracenylmethyl)-3-piperidinol
CID 2845863
1-(1-Pyrenylmethyl)-3-piperidinol
CID 2846028
2-[4-(9H-fluoren-2-ylmethyl)-1-isopropyl-2-piperazinyl]ethanol
CID 16191866
2-{1-Methyl-4-[(2'-methylbiphenyl-4-yl)methyl]piperazin-2-yl}ethanol
CID 23723600
2-{1-Methyl-4-[(2'-methylbiphenyl-3-yl)methyl]piperazin-2-yl}ethanol
CID 23723733
2-[(2S)-1-benzyl-4-(2-phenylethyl)piperazin-2-yl]ethanol
CID 29150590
2-[(2S)-1-benzyl-4-(cyclohexylmethyl)piperazin-2-yl]ethanol
CID 30675158
2-[(2R)-1-benzyl-4-(cyclohexylmethyl)piperazin-2-yl]ethanol
CID 30853613

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-(cyclohexylmethyl)-1-(naphthalen-2-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-(cyclohexylmethyl)-1-(naphthalen-2-ylmethyl)piperazin-2-yl]ethanol (CID 90655531) is 2-[(2S)-4-(cyclohexylmethyl)-1-(naphthalen-2-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-(cyclohexylmethyl)-1-(naphthalen-2-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-(cyclohexylmethyl)-1-(naphthalen-2-ylmethyl)piperazin-2-yl]ethanol is OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccc2ccccc2c1.
What is the InChIKey of 2-[(2S)-4-(cyclohexylmethyl)-1-(naphthalen-2-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is PMDDJJIHWAUWIM-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H34N2O/c27-15-12-24-19-25(17-20-6-2-1-3-7-20)13-14-26(24)18-21-10-11-22-8-4-5-9-23(22)16-21/h4-5,8-11,16,20,24,27H,1-3,6-7,12-15,17-19H2/t24-/m0/s1.
What are the key properties of 2-[(2S)-4-(cyclohexylmethyl)-1-(naphthalen-2-ylmethyl)piperazin-2-yl]ethanol?
2-[(2S)-4-(cyclohexylmethyl)-1-(naphthalen-2-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-[(2S)-4-(cyclohexylmethyl)-1-(naphthalen-2-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 90655531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).