4-[(2R)-2-hydroxy-3-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]propoxy]phenol

C25H30N2O5S — CID 70000212

IUPAC4-[(2R)-2-hydroxy-3-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]propoxy]phenol
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCC(CNC[C@@H](O)COc2ccc(O)cc2)CC1
InChIInChI=1S/C25H30N2O5S/c28-22-6-8-24(9-7-22)32-18-23(29)17-26-16-19-11-13-27(14-12-19)33(30,31)25-10-5-20-3-1-2-4-21(20)15-25/h1-10,15,19,23,26,28-29H,11-14,16-18H2/t23-/m1/s1
InChIKeyBXNBIYJNFZWMBU-HSZRJFAPSA-N
MW470.59 g/mol
LogP2.98
Rot. Bonds9

About 4-[(2R)-2-hydroxy-3-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]propoxy]phenol

4-[(2R)-2-hydroxy-3-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]propoxy]phenol (PubChem CID 70000212) has the molecular formula C25H30N2O5S and a molecular weight of 470.59 g/mol. Its IUPAC name is 4-[(2R)-2-hydroxy-3-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]propoxy]phenol.

Molecular Properties

Compound Name4-[(2R)-2-hydroxy-3-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]propoxy]phenol
PubChem CID70000212
Molecular FormulaC25H30N2O5S
Molecular Weight470.59 g/mol
Exact Mass470.19
IUPAC Name4-[(2R)-2-hydroxy-3-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]propoxy]phenol
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCC(CNC[C@@H](O)COc2ccc(O)cc2)CC1
InChIInChI=1S/C25H30N2O5S/c28-22-6-8-24(9-7-22)32-18-23(29)17-26-16-19-11-13-27(14-12-19)33(30,31)25-10-5-20-3-1-2-4-21(20)15-25/h1-10,15,19,23,26,28-29H,11-14,16-18H2/t23-/m1/s1
InChIKeyBXNBIYJNFZWMBU-HSZRJFAPSA-N
XLogP2.98
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2S)-2-hydroxy-3-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methylamino]propoxy]phenol
CID 70001951
4-[3-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]phenol
CID 18678599
4-[(2R)-2-hydroxy-3-[[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]methylamino]propoxy]phenol
CID 70001665
(2S)-1-(9H-carbazol-4-yloxy)-3-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]propan-2-ol
CID 10230721
N-[4-[4-[[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]methyl]piperidin-1-yl]sulfonylphenyl]nonanamide
CID 10257535
N-[4-[4-[[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]methyl]piperidin-1-yl]sulfonylphenyl]heptanamide
CID 10302672
1-hexyl-3-[4-[4-[[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]methyl]piperidin-1-yl]sulfonylphenyl]urea
CID 10231394
4-[3-[[1-(4-butoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-hydroxypropoxy]phenol
CID 18767785
2-(cyclopropylmethylamino)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 119678254
N-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride
CID 119987587
(2S)-1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-3-[(2-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propan-2-ol
CID 10141164
1-[(2,5-difluorophenyl)methyl]-3-[4-[4-[[[(2S)-3-(3-fluoro-4-hydroxyphenoxy)-2-hydroxypropyl]amino]methyl]piperidin-1-yl]sulfonylphenyl]urea
CID 10304565

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-hydroxy-3-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]propoxy]phenol?
The IUPAC name of 4-[(2R)-2-hydroxy-3-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]propoxy]phenol (CID 70000212) is 4-[(2R)-2-hydroxy-3-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]propoxy]phenol.
What is the SMILES notation for 4-[(2R)-2-hydroxy-3-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]propoxy]phenol?
The canonical SMILES for 4-[(2R)-2-hydroxy-3-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]propoxy]phenol is O=S(=O)(c1ccc2ccccc2c1)N1CCC(CNC[C@@H](O)COc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[(2R)-2-hydroxy-3-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]propoxy]phenol?
The InChIKey is BXNBIYJNFZWMBU-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H30N2O5S/c28-22-6-8-24(9-7-22)32-18-23(29)17-26-16-19-11-13-27(14-12-19)33(30,31)25-10-5-20-3-1-2-4-21(20)15-25/h1-10,15,19,23,26,28-29H,11-14,16-18H2/t23-/m1/s1.
What are the key properties of 4-[(2R)-2-hydroxy-3-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]propoxy]phenol?
4-[(2R)-2-hydroxy-3-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]propoxy]phenol has a molecular weight of 470.59 g/mol, XLogP of 2.98, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-hydroxy-3-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]propoxy]phenol is sourced from PubChem (CID 70000212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).