(3R)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-3-phenylbutan-1-one

C23H29NO2 — CID 174969427

IUPAC(3R)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
SMILESCc1cccc(CC2(O)CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)c1
InChIInChI=1S/C23H29NO2/c1-18-7-6-8-20(15-18)17-23(26)11-13-24(14-12-23)22(25)16-19(2)21-9-4-3-5-10-21/h3-10,15,19,26H,11-14,16-17H2,1-2H3/t19-/m1/s1
InChIKeyKZCHFTZNQFVQIT-LJQANCHMSA-N
MW351.49 g/mol
LogP4.08
Rot. Bonds5

About (3R)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-3-phenylbutan-1-one

(3R)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-3-phenylbutan-1-one (PubChem CID 174969427) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is (3R)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-3-phenylbutan-1-one.

Molecular Properties

Compound Name(3R)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
PubChem CID174969427
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name(3R)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
SMILESCc1cccc(CC2(O)CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)c1
InChIInChI=1S/C23H29NO2/c1-18-7-6-8-20(15-18)17-23(26)11-13-24(14-12-23)22(25)16-19(2)21-9-4-3-5-10-21/h3-10,15,19,26H,11-14,16-17H2,1-2H3/t19-/m1/s1
InChIKeyKZCHFTZNQFVQIT-LJQANCHMSA-N
XLogP4.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(furan-3-yl)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]ethanone
CID 136539065
3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-methylpyrimidin-4-one
CID 166555545
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]indole-2-carbaldehyde
CID 174969447
[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-[(2S,3R)-2-methyloxan-3-yl]methanone
CID 129480128
[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 136539054
[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone
CID 129480129
3-amino-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119952742
1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylic acid
CID 134211837
3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119401565
(3-fluoro-4-pyridinyl)-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone
CID 136539060
1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one
CID 72638559

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-3-phenylbutan-1-one?
The IUPAC name of (3R)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-3-phenylbutan-1-one (CID 174969427) is (3R)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-3-phenylbutan-1-one.
What is the SMILES notation for (3R)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-3-phenylbutan-1-one?
The canonical SMILES for (3R)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-3-phenylbutan-1-one is Cc1cccc(CC2(O)CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)c1.
What is the InChIKey of (3R)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-3-phenylbutan-1-one?
The InChIKey is KZCHFTZNQFVQIT-LJQANCHMSA-N. The full InChI is InChI=1S/C23H29NO2/c1-18-7-6-8-20(15-18)17-23(26)11-13-24(14-12-23)22(25)16-19(2)21-9-4-3-5-10-21/h3-10,15,19,26H,11-14,16-17H2,1-2H3/t19-/m1/s1.
What are the key properties of (3R)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-3-phenylbutan-1-one?
(3R)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-3-phenylbutan-1-one has a molecular weight of 351.49 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-3-phenylbutan-1-one is sourced from PubChem (CID 174969427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).