2-[1-(2,2-dimethylpropyl)-4-[1-(2-methoxyphenyl)piperidin-4-yl]piperazin-2-yl]ethanol

C23H39N3O2 — CID 23723665

IUPAC2-[1-(2,2-dimethylpropyl)-4-[1-(2-methoxyphenyl)piperidin-4-yl]piperazin-2-yl]ethanol
SMILESCOc1ccccc1N1CCC(N2CCN(CC(C)(C)C)C(CCO)C2)CC1
InChIInChI=1S/C23H39N3O2/c1-23(2,3)18-26-15-14-25(17-20(26)11-16-27)19-9-12-24(13-10-19)21-7-5-6-8-22(21)28-4/h5-8,19-20,27H,9-18H2,1-4H3
InChIKeyIMVPNRHAFZBRAR-UHFFFAOYSA-N
MW389.58 g/mol
LogP3.08
Rot. Bonds6

About 2-[1-(2,2-dimethylpropyl)-4-[1-(2-methoxyphenyl)piperidin-4-yl]piperazin-2-yl]ethanol

2-[1-(2,2-dimethylpropyl)-4-[1-(2-methoxyphenyl)piperidin-4-yl]piperazin-2-yl]ethanol (PubChem CID 23723665) has the molecular formula C23H39N3O2 and a molecular weight of 389.58 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropyl)-4-[1-(2-methoxyphenyl)piperidin-4-yl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropyl)-4-[1-(2-methoxyphenyl)piperidin-4-yl]piperazin-2-yl]ethanol
PubChem CID23723665
Molecular FormulaC23H39N3O2
Molecular Weight389.58 g/mol
Exact Mass389.30
IUPAC Name2-[1-(2,2-dimethylpropyl)-4-[1-(2-methoxyphenyl)piperidin-4-yl]piperazin-2-yl]ethanol
SMILESCOc1ccccc1N1CCC(N2CCN(CC(C)(C)C)C(CCO)C2)CC1
InChIInChI=1S/C23H39N3O2/c1-23(2,3)18-26-15-14-25(17-20(26)11-16-27)19-9-12-24(13-10-19)21-7-5-6-8-22(21)28-4/h5-8,19-20,27H,9-18H2,1-4H3
InChIKeyIMVPNRHAFZBRAR-UHFFFAOYSA-N
XLogP3.08
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.58
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Anisopirol
CID 13333
1-(2-Methoxyphenyl)-4-propylpiperazine
CID 410747
1-Butyl-4-(2-methoxy-phenyl)-piperazine
CID 10354670
1-Ethyl-4-(2-methoxyphenyl)piperazine
CID 10376185
1-(2-Methoxyphenyl)-4-pentylpiperazine
CID 10422832
1-(2-Methoxyphenyl)-4-methylpiperazine
CID 9859120
2-[4-(2-Methoxyphenyl)piperazin-1-yl]acetonitrile
CID 2741922
alpha-(((1-Ethynylcyclohexyl)oxy)methyl)-4-(2-methoxyphenyl)-1-piperazineethanol
CID 68762
3-(4-(2-Methoxyphenyl)piperazin-1-yl)-1-phenylpropan-1-ol
CID 15786488
2-[4-(2-Methoxyphenyl)piperazin-1-yl]-1-phenylethanol
CID 16332313
N1-(2-methoxyphenyl)-N4-hexylpiperazine
CID 11778231
1-Piperazineethanol, 4-(o-methoxyphenyl)-alpha-phenoxymethyl-
CID 260297

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropyl)-4-[1-(2-methoxyphenyl)piperidin-4-yl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(2,2-dimethylpropyl)-4-[1-(2-methoxyphenyl)piperidin-4-yl]piperazin-2-yl]ethanol (CID 23723665) is 2-[1-(2,2-dimethylpropyl)-4-[1-(2-methoxyphenyl)piperidin-4-yl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2,2-dimethylpropyl)-4-[1-(2-methoxyphenyl)piperidin-4-yl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2,2-dimethylpropyl)-4-[1-(2-methoxyphenyl)piperidin-4-yl]piperazin-2-yl]ethanol is COc1ccccc1N1CCC(N2CCN(CC(C)(C)C)C(CCO)C2)CC1.
What is the InChIKey of 2-[1-(2,2-dimethylpropyl)-4-[1-(2-methoxyphenyl)piperidin-4-yl]piperazin-2-yl]ethanol?
The InChIKey is IMVPNRHAFZBRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O2/c1-23(2,3)18-26-15-14-25(17-20(26)11-16-27)19-9-12-24(13-10-19)21-7-5-6-8-22(21)28-4/h5-8,19-20,27H,9-18H2,1-4H3.
What are the key properties of 2-[1-(2,2-dimethylpropyl)-4-[1-(2-methoxyphenyl)piperidin-4-yl]piperazin-2-yl]ethanol?
2-[1-(2,2-dimethylpropyl)-4-[1-(2-methoxyphenyl)piperidin-4-yl]piperazin-2-yl]ethanol has a molecular weight of 389.58 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropyl)-4-[1-(2-methoxyphenyl)piperidin-4-yl]piperazin-2-yl]ethanol is sourced from PubChem (CID 23723665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).