2-[3-[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol

C19H27N3O2 — CID 126439547

IUPAC2-[3-[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
SMILESCCOc1ccccc1CN1CCC[C@H](c2ccn(CCO)n2)C1
InChIInChI=1S/C19H27N3O2/c1-2-24-19-8-4-3-6-17(19)15-21-10-5-7-16(14-21)18-9-11-22(20-18)12-13-23/h3-4,6,8-9,11,16,23H,2,5,7,10,12-15H2,1H3/t16-/m0/s1
InChIKeyQFAYUVDVMNKTEG-INIZCTEOSA-N
MW329.44 g/mol
LogP2.65
Rot. Bonds7

About 2-[3-[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol

2-[3-[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol (PubChem CID 126439547) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[3-[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
PubChem CID126439547
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-[3-[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
SMILESCCOc1ccccc1CN1CCC[C@H](c2ccn(CCO)n2)C1
InChIInChI=1S/C19H27N3O2/c1-2-24-19-8-4-3-6-17(19)15-21-10-5-7-16(14-21)18-9-11-22(20-18)12-13-23/h3-4,6,8-9,11,16,23H,2,5,7,10,12-15H2,1H3/t16-/m0/s1
InChIKeyQFAYUVDVMNKTEG-INIZCTEOSA-N
XLogP2.65
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(3R)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
CID 126444321
2-chloro-3-[[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methyl]phenol
CID 119060144
2-[3-[1-(1H-indol-7-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol
CID 119071846
2-[3-[1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
CID 119073447
2-[3-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
CID 126429690
2-[[(3S)-3-[1-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]benzoic acid
CID 126426757
4-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-2-(methoxymethyl)pyrimidine
CID 71891342
2-[3-[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
CID 126435985
2-[3-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol
CID 119064478
2-[3-[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]pyrazol-1-yl]ethanol
CID 126431614
2-[3-[(3S)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol
CID 126429945
1-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-4-phenylbutane-1,4-dione
CID 126443917

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol (CID 126439547) is 2-[3-[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol is CCOc1ccccc1CN1CCC[C@H](c2ccn(CCO)n2)C1.
What is the InChIKey of 2-[3-[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol?
The InChIKey is QFAYUVDVMNKTEG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-2-24-19-8-4-3-6-17(19)15-21-10-5-7-16(14-21)18-9-11-22(20-18)12-13-23/h3-4,6,8-9,11,16,23H,2,5,7,10,12-15H2,1H3/t16-/m0/s1.
What are the key properties of 2-[3-[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol?
2-[3-[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol has a molecular weight of 329.44 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 126439547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).