2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol

C22H34N4O3 — CID 51905544

IUPAC2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
SMILESCCn1ncc(CN2CCN(Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)c1C
InChIInChI=1S/C22H34N4O3/c1-5-26-17(2)19(13-23-26)15-24-7-8-25(20(16-24)6-9-27)14-18-10-21(28-3)12-22(11-18)29-4/h10-13,20,27H,5-9,14-16H2,1-4H3/t20-/m1/s1
InChIKeySZAKYOKHAOVODH-HXUWFJFHSA-N
MW402.54 g/mol
LogP2.30
Rot. Bonds9

About 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol

2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 51905544) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
PubChem CID51905544
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Name2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
SMILESCCn1ncc(CN2CCN(Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)c1C
InChIInChI=1S/C22H34N4O3/c1-5-26-17(2)19(13-23-26)15-24-7-8-25(20(16-24)6-9-27)14-18-10-21(28-3)12-22(11-18)29-4/h10-13,20,27H,5-9,14-16H2,1-4H3/t20-/m1/s1
InChIKeySZAKYOKHAOVODH-HXUWFJFHSA-N
XLogP2.30
TPSA62.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 51901673
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CID 98587642
2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 51634610
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CID 98567856
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CID 98576280
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CID 45212256
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CID 45238988
2-chloro-4-[[(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 98588325
2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol
CID 51906840
2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperazin-2-yl]ethanol
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CID 45238989

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol (CID 51905544) is 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol is CCn1ncc(CN2CCN(Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)c1C.
What is the InChIKey of 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is SZAKYOKHAOVODH-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-5-26-17(2)19(13-23-26)15-24-7-8-25(20(16-24)6-9-27)14-18-10-21(28-3)12-22(11-18)29-4/h10-13,20,27H,5-9,14-16H2,1-4H3/t20-/m1/s1.
What are the key properties of 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol?
2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 402.54 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 51905544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).