2-[1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-2-yl]ethanol

C21H28N2O2 — CID 45220474

IUPAC2-[1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-2-yl]ethanol
SMILESCN1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1CCO
InChIInChI=1S/C21H28N2O2/c1-22-12-13-23(16-20(22)11-14-24)15-18-7-9-21(10-8-18)25-17-19-5-3-2-4-6-19/h2-10,20,24H,11-17H2,1H3
InChIKeyRGPGXMFZEAIJGX-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.76
Rot. Bonds7

About 2-[1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-2-yl]ethanol

2-[1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 45220474) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID45220474
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name2-[1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-2-yl]ethanol
SMILESCN1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1CCO
InChIInChI=1S/C21H28N2O2/c1-22-12-13-23(16-20(22)11-14-24)15-18-7-9-21(10-8-18)25-17-19-5-3-2-4-6-19/h2-10,20,24H,11-17H2,1H3
InChIKeyRGPGXMFZEAIJGX-UHFFFAOYSA-N
XLogP2.76
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis[(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 6480590
2-[1-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol
CID 45213559
2-[(2R)-4-[(3-benzylimidazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 124852713
[(4aS,8aS)-1-methyl-7-[(4-phenylmethoxyphenyl)methyl]-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol
CID 135100909
4-benzyl-1-methyl-2-(2-methylsulfanylethyl)piperazine
CID 69210671
3-(4-benzyl-1-methylpiperazin-2-yl)propan-1-amine
CID 82383657
3-[[(3S)-4-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 29152620
2-[(2S)-1-methyl-4-(quinolin-3-ylmethyl)piperazin-2-yl]ethanol
CID 39818455
2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45238451
2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 45173043
2-[(2S)-1-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl]ethanol
CID 92764625
2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45240182

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-2-yl]ethanol (CID 45220474) is 2-[1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-2-yl]ethanol is CN1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1CCO.
What is the InChIKey of 2-[1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is RGPGXMFZEAIJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-22-12-13-23(16-20(22)11-14-24)15-18-7-9-21(10-8-18)25-17-19-5-3-2-4-6-19/h2-10,20,24H,11-17H2,1H3.
What are the key properties of 2-[1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-2-yl]ethanol?
2-[1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 340.47 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-4-[(4-phenylmethoxyphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45220474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).