2-[(2S)-4-(1H-pyrazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol

C15H22N4OS — CID 29212757

IUPAC2-[(2S)-4-(1H-pyrazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(Cc2ccn[nH]2)CCN1Cc1cccs1
InChIInChI=1S/C15H22N4OS/c20-8-4-14-11-18(10-13-3-5-16-17-13)6-7-19(14)12-15-2-1-9-21-15/h1-3,5,9,14,20H,4,6-8,10-12H2,(H,16,17)/t14-/m0/s1
InChIKeyHJHPWVFVFNSTQZ-AWEZNQCLSA-N
MW306.43 g/mol
LogP1.54
Rot. Bonds6

About 2-[(2S)-4-(1H-pyrazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol

2-[(2S)-4-(1H-pyrazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 29212757) has the molecular formula C15H22N4OS and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-[(2S)-4-(1H-pyrazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-(1H-pyrazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
PubChem CID29212757
Molecular FormulaC15H22N4OS
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC Name2-[(2S)-4-(1H-pyrazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(Cc2ccn[nH]2)CCN1Cc1cccs1
InChIInChI=1S/C15H22N4OS/c20-8-4-14-11-18(10-13-3-5-16-17-13)6-7-19(14)12-15-2-1-9-21-15/h1-3,5,9,14,20H,4,6-8,10-12H2,(H,16,17)/t14-/m0/s1
InChIKeyHJHPWVFVFNSTQZ-AWEZNQCLSA-N
XLogP1.54
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(2-methylphenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)piperazin-2-yl]ethanol
CID 45250534
2-[(2S)-1-(thiophen-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 51634081
2-[(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 51907458
2-[(2S)-4-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 95188636
2-[(2R)-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 29029658
2-[(2S)-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 29029660
1-[4-[[3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]phenyl]imidazolidin-2-one
CID 45192912
2-[(2S)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 28872070
2-[(2R)-1-[(4-ethoxyphenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)piperazin-2-yl]ethanol
CID 98587052
2-[(2S)-4-(1-benzofuran-2-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 51634602
methyl 4-[[(3S)-3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzoate
CID 29217472
1-[4-[[3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]thiophen-2-yl]ethanone
CID 45232287

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-(1H-pyrazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-(1H-pyrazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol (CID 29212757) is 2-[(2S)-4-(1H-pyrazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-(1H-pyrazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-(1H-pyrazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol is OCC[C@H]1CN(Cc2ccn[nH]2)CCN1Cc1cccs1.
What is the InChIKey of 2-[(2S)-4-(1H-pyrazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is HJHPWVFVFNSTQZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N4OS/c20-8-4-14-11-18(10-13-3-5-16-17-13)6-7-19(14)12-15-2-1-9-21-15/h1-3,5,9,14,20H,4,6-8,10-12H2,(H,16,17)/t14-/m0/s1.
What are the key properties of 2-[(2S)-4-(1H-pyrazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol?
2-[(2S)-4-(1H-pyrazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 306.43 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-(1H-pyrazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 29212757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).