[4-(4-hydroxyphenyl)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone

C27H30N2O2 — CID 23284910

IUPAC[4-(4-hydroxyphenyl)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
SMILESCN(CCc1ccccc1)C1CCN(C(=O)c2ccc(-c3ccc(O)cc3)cc2)CC1
InChIInChI=1S/C27H30N2O2/c1-28(18-15-21-5-3-2-4-6-21)25-16-19-29(20-17-25)27(31)24-9-7-22(8-10-24)23-11-13-26(30)14-12-23/h2-14,25,30H,15-20H2,1H3
InChIKeyOBKGMDKJNFPJPT-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.84
Rot. Bonds6

About [4-(4-hydroxyphenyl)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone

[4-(4-hydroxyphenyl)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone (PubChem CID 23284910) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is [4-(4-hydroxyphenyl)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-hydroxyphenyl)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
PubChem CID23284910
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name[4-(4-hydroxyphenyl)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
SMILESCN(CCc1ccccc1)C1CCN(C(=O)c2ccc(-c3ccc(O)cc3)cc2)CC1
InChIInChI=1S/C27H30N2O2/c1-28(18-15-21-5-3-2-4-6-21)25-16-19-29(20-17-25)27(31)24-9-7-22(8-10-24)23-11-13-26(30)14-12-23/h2-14,25,30H,15-20H2,1H3
InChIKeyOBKGMDKJNFPJPT-UHFFFAOYSA-N
XLogP4.84
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(4-hydroxyphenyl)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone with MolForge

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Related Compounds

1,1,3-trimethyl-3-[4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride
CID 23285019
[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(3-methylpyrazol-1-yl)phenyl]methanone
CID 23285129
1-tert-butyl-1-[4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride
CID 70103958
[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(6-pyrrol-1-yl-3-pyridinyl)methanone
CID 23285008
5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 23284933
2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
CID 23285051
2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
CID 23285133
[3,5-dimethyl-4-(propylamino)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 102052463
[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 23284984
(4-amino-2-chlorophenyl)-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone;oxalic acid
CID 23284988
[(3R)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 25306950
[4-[methyl(2-pyridin-3-ylethyl)amino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 23285087

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxyphenyl)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone?
The IUPAC name of [4-(4-hydroxyphenyl)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone (CID 23284910) is [4-(4-hydroxyphenyl)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(4-hydroxyphenyl)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone?
The canonical SMILES for [4-(4-hydroxyphenyl)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone is CN(CCc1ccccc1)C1CCN(C(=O)c2ccc(-c3ccc(O)cc3)cc2)CC1.
What is the InChIKey of [4-(4-hydroxyphenyl)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone?
The InChIKey is OBKGMDKJNFPJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-28(18-15-21-5-3-2-4-6-21)25-16-19-29(20-17-25)27(31)24-9-7-22(8-10-24)23-11-13-26(30)14-12-23/h2-14,25,30H,15-20H2,1H3.
What are the key properties of [4-(4-hydroxyphenyl)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone?
[4-(4-hydroxyphenyl)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone has a molecular weight of 414.55 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxyphenyl)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 23284910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).