1,4-dihydroxy-4-methyl-3-[4-(4-phenylphenyl)piperidin-1-yl]pentan-2-one

C23H29NO3 — CID 157384353

IUPAC1,4-dihydroxy-4-methyl-3-[4-(4-phenylphenyl)piperidin-1-yl]pentan-2-one
SMILESCC(C)(O)C(C(=O)CO)N1CCC(c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C23H29NO3/c1-23(2,27)22(21(26)16-25)24-14-12-20(13-15-24)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,20,22,25,27H,12-16H2,1-2H3
InChIKeyBLGIIMJHJBISEB-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.23
Rot. Bonds6

About 1,4-dihydroxy-4-methyl-3-[4-(4-phenylphenyl)piperidin-1-yl]pentan-2-one

1,4-dihydroxy-4-methyl-3-[4-(4-phenylphenyl)piperidin-1-yl]pentan-2-one (PubChem CID 157384353) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1,4-dihydroxy-4-methyl-3-[4-(4-phenylphenyl)piperidin-1-yl]pentan-2-one.

Molecular Properties

Compound Name1,4-dihydroxy-4-methyl-3-[4-(4-phenylphenyl)piperidin-1-yl]pentan-2-one
PubChem CID157384353
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name1,4-dihydroxy-4-methyl-3-[4-(4-phenylphenyl)piperidin-1-yl]pentan-2-one
SMILESCC(C)(O)C(C(=O)CO)N1CCC(c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C23H29NO3/c1-23(2,27)22(21(26)16-25)24-14-12-20(13-15-24)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,20,22,25,27H,12-16H2,1-2H3
InChIKeyBLGIIMJHJBISEB-UHFFFAOYSA-N
XLogP3.23
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide
CID 58412828
3-amino-N-hydroxy-2-[4-(4-phenylphenyl)piperidin-1-yl]butanamide
CID 144791883
4-(4-phenylphenyl)piperidine-1-carboxamide
CID 173092095
2,4-bis(4-phenylpiperidin-1-yl)pentan-3-one
CID 174394805
2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-phenylphenyl)piperidin-1-yl]butanamide
CID 23585285
(2R)-N-phenyl-2-(4-phenylpiperidin-1-yl)propanamide
CID 125483089
3-hydroxy-3-phenyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 110024551
1-(4-butylcyclohexyl)-4-phenylbenzene
CID 20638990
4-(4-cyclobutylphenyl)benzoic acid
CID 116506494
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperidine-1-carboxamide
CID 44633511
4-(4-phenylphenyl)cyclohexane-1-carboxylate
CID 4620485
1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 54467761

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroxy-4-methyl-3-[4-(4-phenylphenyl)piperidin-1-yl]pentan-2-one?
The IUPAC name of 1,4-dihydroxy-4-methyl-3-[4-(4-phenylphenyl)piperidin-1-yl]pentan-2-one (CID 157384353) is 1,4-dihydroxy-4-methyl-3-[4-(4-phenylphenyl)piperidin-1-yl]pentan-2-one.
What is the SMILES notation for 1,4-dihydroxy-4-methyl-3-[4-(4-phenylphenyl)piperidin-1-yl]pentan-2-one?
The canonical SMILES for 1,4-dihydroxy-4-methyl-3-[4-(4-phenylphenyl)piperidin-1-yl]pentan-2-one is CC(C)(O)C(C(=O)CO)N1CCC(c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 1,4-dihydroxy-4-methyl-3-[4-(4-phenylphenyl)piperidin-1-yl]pentan-2-one?
The InChIKey is BLGIIMJHJBISEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-23(2,27)22(21(26)16-25)24-14-12-20(13-15-24)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,20,22,25,27H,12-16H2,1-2H3.
What are the key properties of 1,4-dihydroxy-4-methyl-3-[4-(4-phenylphenyl)piperidin-1-yl]pentan-2-one?
1,4-dihydroxy-4-methyl-3-[4-(4-phenylphenyl)piperidin-1-yl]pentan-2-one has a molecular weight of 367.49 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroxy-4-methyl-3-[4-(4-phenylphenyl)piperidin-1-yl]pentan-2-one is sourced from PubChem (CID 157384353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).