2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

C26H41N5O — CID 30727209

IUPAC2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCc1cc(C)c(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)c(-n2cccn2)c1
InChIInChI=1S/C26H41N5O/c1-20(2)29-11-6-23(7-12-29)30-14-13-28(18-24(30)8-15-32)19-25-22(4)16-21(3)17-26(25)31-10-5-9-27-31/h5,9-10,16-17,20,23-24,32H,6-8,11-15,18-19H2,1-4H3/t24-/m0/s1
InChIKeyJSLUZIRDBYYKIH-DEOSSOPVSA-N
MW439.65 g/mol
LogP3.23
Rot. Bonds7

About 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 30727209) has the molecular formula C26H41N5O and a molecular weight of 439.65 g/mol. Its IUPAC name is 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
PubChem CID30727209
Molecular FormulaC26H41N5O
Molecular Weight439.65 g/mol
Exact Mass439.33
IUPAC Name2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCc1cc(C)c(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)c(-n2cccn2)c1
InChIInChI=1S/C26H41N5O/c1-20(2)29-11-6-23(7-12-29)30-14-13-28(18-24(30)8-15-32)19-25-22(4)16-21(3)17-26(25)31-10-5-9-27-31/h5,9-10,16-17,20,23-24,32H,6-8,11-15,18-19H2,1-4H3/t24-/m0/s1
InChIKeyJSLUZIRDBYYKIH-DEOSSOPVSA-N
XLogP3.23
TPSA47.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.65
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[1-(3-methylphenyl)imidazol-2-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45199680
2-[(2R)-4-[[3-(2-methylphenyl)phenyl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 51622956
2-[4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45210237
2-[(2R)-4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 98579376
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CID 45178979
2-[4-[(4-ethylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45186472
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CID 29025292
2-[(2S)-4-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 30733316
2-[4-[(2-fluorophenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45171701
2-[(2S)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 28954927
2-[(2R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 51901854
2-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (CID 30727209) is 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is Cc1cc(C)c(CN2CCN(C3CCN(C(C)C)CC3)[C@@H](CCO)C2)c(-n2cccn2)c1.
What is the InChIKey of 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is JSLUZIRDBYYKIH-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H41N5O/c1-20(2)29-11-6-23(7-12-29)30-14-13-28(18-24(30)8-15-32)19-25-22(4)16-21(3)17-26(25)31-10-5-9-27-31/h5,9-10,16-17,20,23-24,32H,6-8,11-15,18-19H2,1-4H3/t24-/m0/s1.
What are the key properties of 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 439.65 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 30727209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).