2-chloro-3-[[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methyl]phenol

C17H22ClN3O2 — CID 119060144

IUPAC2-chloro-3-[[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methyl]phenol
SMILESOCCn1ccc(C2CCCN(Cc3cccc(O)c3Cl)C2)n1
InChIInChI=1S/C17H22ClN3O2/c18-17-14(3-1-5-16(17)23)12-20-7-2-4-13(11-20)15-6-8-21(19-15)9-10-22/h1,3,5-6,8,13,22-23H,2,4,7,9-12H2
InChIKeyQECUEAIMKBCYJF-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.61
Rot. Bonds5

About 2-chloro-3-[[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methyl]phenol

2-chloro-3-[[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methyl]phenol (PubChem CID 119060144) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 2-chloro-3-[[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-chloro-3-[[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methyl]phenol
PubChem CID119060144
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name2-chloro-3-[[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methyl]phenol
SMILESOCCn1ccc(C2CCCN(Cc3cccc(O)c3Cl)C2)n1
InChIInChI=1S/C17H22ClN3O2/c18-17-14(3-1-5-16(17)23)12-20-7-2-4-13(11-20)15-6-8-21(19-15)9-10-22/h1,3,5-6,8,13,22-23H,2,4,7,9-12H2
InChIKeyQECUEAIMKBCYJF-UHFFFAOYSA-N
XLogP2.61
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.61
H-Bond Donors ≤ 52
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-[3-[1-(1H-indol-7-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol
CID 119071846
2-[3-[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
CID 126435985
2-[3-[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
CID 126439547
4-[[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methyl]benzoic acid
CID 126443440
2-[[(3S)-3-[1-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]benzoic acid
CID 126426757
2-[3-[1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
CID 119073447
2-[3-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]pyrazol-1-yl]ethanol
CID 119064478
2-[3-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
CID 126429690
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
2-[3-[(3S)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]ethanol
CID 126437286

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methyl]phenol?
The IUPAC name of 2-chloro-3-[[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methyl]phenol (CID 119060144) is 2-chloro-3-[[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-chloro-3-[[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2-chloro-3-[[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methyl]phenol is OCCn1ccc(C2CCCN(Cc3cccc(O)c3Cl)C2)n1.
What is the InChIKey of 2-chloro-3-[[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methyl]phenol?
The InChIKey is QECUEAIMKBCYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c18-17-14(3-1-5-16(17)23)12-20-7-2-4-13(11-20)15-6-8-21(19-15)9-10-22/h1,3,5-6,8,13,22-23H,2,4,7,9-12H2.
What are the key properties of 2-chloro-3-[[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methyl]phenol?
2-chloro-3-[[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methyl]phenol has a molecular weight of 335.84 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 119060144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).