2-[(2R)-4-(1,3-benzodioxol-4-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol

C19H30N2O3 — CID 98582976

IUPAC2-[(2R)-4-(1,3-benzodioxol-4-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol
SMILESCC(C)(C)CN1CCN(Cc2cccc3c2OCO3)C[C@H]1CCO
InChIInChI=1S/C19H30N2O3/c1-19(2,3)13-21-9-8-20(12-16(21)7-10-22)11-15-5-4-6-17-18(15)24-14-23-17/h4-6,16,22H,7-14H2,1-3H3/t16-/m1/s1
InChIKeyVNTMIDRCCNNIJJ-MRXNPFEDSA-N
MW334.46 g/mol
LogP2.33
Rot. Bonds5

About 2-[(2R)-4-(1,3-benzodioxol-4-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol

2-[(2R)-4-(1,3-benzodioxol-4-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol (PubChem CID 98582976) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[(2R)-4-(1,3-benzodioxol-4-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-(1,3-benzodioxol-4-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol
PubChem CID98582976
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name2-[(2R)-4-(1,3-benzodioxol-4-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol
SMILESCC(C)(C)CN1CCN(Cc2cccc3c2OCO3)C[C@H]1CCO
InChIInChI=1S/C19H30N2O3/c1-19(2,3)13-21-9-8-20(12-16(21)7-10-22)11-15-5-4-6-17-18(15)24-14-23-17/h4-6,16,22H,7-14H2,1-3H3/t16-/m1/s1
InChIKeyVNTMIDRCCNNIJJ-MRXNPFEDSA-N
XLogP2.33
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-4-(1,3-benzodioxol-4-ylmethyl)-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 93233456
2-[(2R)-4-(1,3-benzodioxol-4-ylmethyl)-1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol
CID 29088990
2-[4-(1,3-benzodioxol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45242285
2-[(2R)-4-(1-benzofuran-2-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol
CID 100579221
2-[(2R)-1-(2,2-dimethylpropyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 51903120
1-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperazine
CID 70905419
2-[1-(2,2-dimethylpropyl)-4-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45211012
2-[1-(2,2-dimethylpropyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45205517
2-[(2S)-4-(2,2-dimethylpropyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 29151767
2-[(2R)-4-(2,2-dimethylpropyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 51902403
2-[4-[(6-chloroquinolin-2-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol
CID 45189597
2-[4-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45208361

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(1,3-benzodioxol-4-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-(1,3-benzodioxol-4-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol (CID 98582976) is 2-[(2R)-4-(1,3-benzodioxol-4-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-(1,3-benzodioxol-4-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-(1,3-benzodioxol-4-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol is CC(C)(C)CN1CCN(Cc2cccc3c2OCO3)C[C@H]1CCO.
What is the InChIKey of 2-[(2R)-4-(1,3-benzodioxol-4-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol?
The InChIKey is VNTMIDRCCNNIJJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-19(2,3)13-21-9-8-20(12-16(21)7-10-22)11-15-5-4-6-17-18(15)24-14-23-17/h4-6,16,22H,7-14H2,1-3H3/t16-/m1/s1.
What are the key properties of 2-[(2R)-4-(1,3-benzodioxol-4-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol?
2-[(2R)-4-(1,3-benzodioxol-4-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol has a molecular weight of 334.46 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(1,3-benzodioxol-4-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 98582976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).