4-[[(2R,5S)-4-benzyl-2-ethyl-5-methylpiperazin-1-yl]methyl]oxan-4-ol

C20H32N2O2 — CID 166931156

IUPAC4-[[(2R,5S)-4-benzyl-2-ethyl-5-methylpiperazin-1-yl]methyl]oxan-4-ol
SMILESCC[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1CC1(O)CCOCC1
InChIInChI=1S/C20H32N2O2/c1-3-19-15-21(14-18-7-5-4-6-8-18)17(2)13-22(19)16-20(23)9-11-24-12-10-20/h4-8,17,19,23H,3,9-16H2,1-2H3/t17-,19+/m0/s1
InChIKeyAOXQHIBCUYLUSE-PKOBYXMFSA-N
MW332.49 g/mol
LogP2.51
Rot. Bonds5

About 4-[[(2R,5S)-4-benzyl-2-ethyl-5-methylpiperazin-1-yl]methyl]oxan-4-ol

4-[[(2R,5S)-4-benzyl-2-ethyl-5-methylpiperazin-1-yl]methyl]oxan-4-ol (PubChem CID 166931156) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 4-[[(2R,5S)-4-benzyl-2-ethyl-5-methylpiperazin-1-yl]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(2R,5S)-4-benzyl-2-ethyl-5-methylpiperazin-1-yl]methyl]oxan-4-ol
PubChem CID166931156
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name4-[[(2R,5S)-4-benzyl-2-ethyl-5-methylpiperazin-1-yl]methyl]oxan-4-ol
SMILESCC[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1CC1(O)CCOCC1
InChIInChI=1S/C20H32N2O2/c1-3-19-15-21(14-18-7-5-4-6-8-18)17(2)13-22(19)16-20(23)9-11-24-12-10-20/h4-8,17,19,23H,3,9-16H2,1-2H3/t17-,19+/m0/s1
InChIKeyAOXQHIBCUYLUSE-PKOBYXMFSA-N
XLogP2.51
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[(2R,5S)-4-benzyl-2-ethyl-5-methylpiperazin-1-yl]methyl]oxan-4-ol with MolForge

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Related Compounds

(2S,5S,8S)-1,4-dibenzyl-7-[2-[(2S,5S,8S)-4,7-dibenzyl-2,5,8-triethyl-1,4,7-triazonan-1-yl]ethyl]-2,5,8-triethyl-1,4,7-triazonane
CID 171735293
(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
1-benzyl-2,4,5-trimethylpiperazine
CID 72621990
1-(4-benzyl-2,5-dimethylpiperazin-1-yl)propan-1-one
CID 21043697
tert-butyl (2S)-4-benzyl-5-ethyl-2-methylpiperazine-1-carboxylate
CID 175596154
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-2-hydroxyethanone
CID 23405849
N-[2-(1-benzyl-5-methylpyrrolidin-3-yl)ethyl]-4-(2-methylphenyl)oxane-4-carboxamide
CID 71844429
[(2R,5R)-4-benzyl-5-ethylmorpholin-2-yl]methanol
CID 146573821
N'-[[(3S,5S)-1-benzyl-5-methylpyrrolidin-3-yl]methyl]morpholine-4-carboximidamide
CID 129382995

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,5S)-4-benzyl-2-ethyl-5-methylpiperazin-1-yl]methyl]oxan-4-ol?
The IUPAC name of 4-[[(2R,5S)-4-benzyl-2-ethyl-5-methylpiperazin-1-yl]methyl]oxan-4-ol (CID 166931156) is 4-[[(2R,5S)-4-benzyl-2-ethyl-5-methylpiperazin-1-yl]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(2R,5S)-4-benzyl-2-ethyl-5-methylpiperazin-1-yl]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(2R,5S)-4-benzyl-2-ethyl-5-methylpiperazin-1-yl]methyl]oxan-4-ol is CC[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1CC1(O)CCOCC1.
What is the InChIKey of 4-[[(2R,5S)-4-benzyl-2-ethyl-5-methylpiperazin-1-yl]methyl]oxan-4-ol?
The InChIKey is AOXQHIBCUYLUSE-PKOBYXMFSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-3-19-15-21(14-18-7-5-4-6-8-18)17(2)13-22(19)16-20(23)9-11-24-12-10-20/h4-8,17,19,23H,3,9-16H2,1-2H3/t17-,19+/m0/s1.
What are the key properties of 4-[[(2R,5S)-4-benzyl-2-ethyl-5-methylpiperazin-1-yl]methyl]oxan-4-ol?
4-[[(2R,5S)-4-benzyl-2-ethyl-5-methylpiperazin-1-yl]methyl]oxan-4-ol has a molecular weight of 332.49 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,5S)-4-benzyl-2-ethyl-5-methylpiperazin-1-yl]methyl]oxan-4-ol is sourced from PubChem (CID 166931156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).