1-[3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine

C21H32N2O2 — CID 154742529

IUPAC1-[3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine
SMILESCOCc1ccccc1C=C(C)CN1CCN(CC2CCOC2)CC1
InChIInChI=1S/C21H32N2O2/c1-18(13-20-5-3-4-6-21(20)17-24-2)14-22-8-10-23(11-9-22)15-19-7-12-25-16-19/h3-6,13,19H,7-12,14-17H2,1-2H3
InChIKeyMXIGXLVWOSFUQA-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.89
Rot. Bonds7

About 1-[3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine

1-[3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine (PubChem CID 154742529) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-[3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine
PubChem CID154742529
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name1-[3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine
SMILESCOCc1ccccc1C=C(C)CN1CCN(CC2CCOC2)CC1
InChIInChI=1S/C21H32N2O2/c1-18(13-20-5-3-4-6-21(20)17-24-2)14-22-8-10-23(11-9-22)15-19-7-12-25-16-19/h3-6,13,19H,7-12,14-17H2,1-2H3
InChIKeyMXIGXLVWOSFUQA-UHFFFAOYSA-N
XLogP2.89
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,3-dimethoxyphenyl)methyl]-4-[[(3R)-oxolan-3-yl]methyl]piperazine
CID 129372864
benzyl 4-(oxolan-3-ylmethyl)piperazine-1-carboxylate
CID 71858020
4-(4-methylphenyl)-1-(oxolan-3-ylmethyl)piperidine
CID 155201522
ethyl 2-[4-(oxolan-3-ylmethyl)piperazin-1-yl]acetate
CID 78881557
[(3R)-3-[[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
CID 124740652
4-(2-methylphenoxy)-1-[[(3S)-oxolan-3-yl]methyl]piperidine
CID 95862588
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]aniline
CID 61312636
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-[[(3S)-oxolan-3-yl]methyl]piperazin-1-yl]methanone
CID 94152742
1-(oxolan-3-ylmethyl)pyrrolidine
CID 66580688
N-[[2-(methoxymethyl)phenyl]methyl]-N-[1-(oxolan-3-yl)propan-2-yl]prop-2-enamide
CID 166424305
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
CID 99824765
3-amino-2-methyl-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119897518

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine?
The IUPAC name of 1-[3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine (CID 154742529) is 1-[3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine.
What is the SMILES notation for 1-[3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine?
The canonical SMILES for 1-[3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine is COCc1ccccc1C=C(C)CN1CCN(CC2CCOC2)CC1.
What is the InChIKey of 1-[3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine?
The InChIKey is MXIGXLVWOSFUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-18(13-20-5-3-4-6-21(20)17-24-2)14-22-8-10-23(11-9-22)15-19-7-12-25-16-19/h3-6,13,19H,7-12,14-17H2,1-2H3.
What are the key properties of 1-[3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine?
1-[3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine has a molecular weight of 344.50 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine is sourced from PubChem (CID 154742529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).