(2R)-1-[4-(4,4-dimethylpiperidin-1-yl)piperidin-1-yl]-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropan-1-one

C24H38N2O2 — CID 123683865

IUPAC(2R)-1-[4-(4,4-dimethylpiperidin-1-yl)piperidin-1-yl]-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropan-1-one
SMILESCc1cc(C[C@@H](C)C(=O)N2CCC(N3CCC(C)(C)CC3)CC2)cc(C)c1O
InChIInChI=1S/C24H38N2O2/c1-17-14-20(15-18(2)22(17)27)16-19(3)23(28)26-10-6-21(7-11-26)25-12-8-24(4,5)9-13-25/h14-15,19,21,27H,6-13,16H2,1-5H3/t19-/m1/s1
InChIKeyXVGJHTPQBXREPL-LJQANCHMSA-N
MW386.58 g/mol
LogP4.30
Rot. Bonds4

About (2R)-1-[4-(4,4-dimethylpiperidin-1-yl)piperidin-1-yl]-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropan-1-one

(2R)-1-[4-(4,4-dimethylpiperidin-1-yl)piperidin-1-yl]-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropan-1-one (PubChem CID 123683865) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is (2R)-1-[4-(4,4-dimethylpiperidin-1-yl)piperidin-1-yl]-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(4,4-dimethylpiperidin-1-yl)piperidin-1-yl]-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropan-1-one
PubChem CID123683865
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC Name(2R)-1-[4-(4,4-dimethylpiperidin-1-yl)piperidin-1-yl]-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropan-1-one
SMILESCc1cc(C[C@@H](C)C(=O)N2CCC(N3CCC(C)(C)CC3)CC2)cc(C)c1O
InChIInChI=1S/C24H38N2O2/c1-17-14-20(15-18(2)22(17)27)16-19(3)23(28)26-10-6-21(7-11-26)25-12-8-24(4,5)9-13-25/h14-15,19,21,27H,6-13,16H2,1-5H3/t19-/m1/s1
InChIKeyXVGJHTPQBXREPL-LJQANCHMSA-N
XLogP4.30
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-2-methyl-1-[4-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 123847268
methyl (2S)-1-[1-[(2R)-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropanoyl]piperidin-4-yl]piperidine-2-carboxylate
CID 123466455
(2R)-1-(4-cyclopentylpiperazin-1-yl)-3-(3,5-dibromo-4-hydroxyphenyl)-2-methylpropan-1-one
CID 123150014
2-[4-[4-[(2R)-2-hydroxy-3-(4-hydroxy-3,5-dimethylphenyl)propanoyl]piperazin-1-yl]piperidin-1-yl]acetic acid
CID 71048851
(2R)-3-(3,5-dichloro-4-hydroxyphenyl)-2-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)propan-1-one
CID 123786202
N-hydroxy-2-[4-[4-[(2R)-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropanoyl]piperazin-1-yl]piperidin-1-yl]-N-methylacetamide;methyl 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate
CID 158782274
2-methyl-3-(4-methylphenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120994474
methyl (2S)-1-[1-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-2-methylpropanoyl]piperidin-4-yl]piperidine-2-carboxylate
CID 123210722
3-(3-hydroxy-4-methylphenyl)-2-methyl-1-piperidin-1-ylpropan-1-one
CID 66609867
(2R)-3-(3,5-dichloro-4-hydroxyphenyl)-2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;methyl 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate
CID 159778242
[(2R)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate;methane
CID 158768967
2-[4-[1-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-2-methylpropanoyl]piperidin-4-yl]piperidin-1-yl]-N-hydroxyacetamide
CID 123985701

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(4,4-dimethylpiperidin-1-yl)piperidin-1-yl]-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropan-1-one?
The IUPAC name of (2R)-1-[4-(4,4-dimethylpiperidin-1-yl)piperidin-1-yl]-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropan-1-one (CID 123683865) is (2R)-1-[4-(4,4-dimethylpiperidin-1-yl)piperidin-1-yl]-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for (2R)-1-[4-(4,4-dimethylpiperidin-1-yl)piperidin-1-yl]-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropan-1-one?
The canonical SMILES for (2R)-1-[4-(4,4-dimethylpiperidin-1-yl)piperidin-1-yl]-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropan-1-one is Cc1cc(C[C@@H](C)C(=O)N2CCC(N3CCC(C)(C)CC3)CC2)cc(C)c1O.
What is the InChIKey of (2R)-1-[4-(4,4-dimethylpiperidin-1-yl)piperidin-1-yl]-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropan-1-one?
The InChIKey is XVGJHTPQBXREPL-LJQANCHMSA-N. The full InChI is InChI=1S/C24H38N2O2/c1-17-14-20(15-18(2)22(17)27)16-19(3)23(28)26-10-6-21(7-11-26)25-12-8-24(4,5)9-13-25/h14-15,19,21,27H,6-13,16H2,1-5H3/t19-/m1/s1.
What are the key properties of (2R)-1-[4-(4,4-dimethylpiperidin-1-yl)piperidin-1-yl]-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropan-1-one?
(2R)-1-[4-(4,4-dimethylpiperidin-1-yl)piperidin-1-yl]-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropan-1-one has a molecular weight of 386.58 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(4,4-dimethylpiperidin-1-yl)piperidin-1-yl]-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 123683865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).