1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidine-4-carboxylic acid

C28H29NO3 — CID 164923007

IUPAC1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(C3c4ccc(O)cc4CCC3c3ccccc3)cc2)CC1
InChIInChI=1S/C28H29NO3/c30-24-11-13-26-22(18-24)8-12-25(19-4-2-1-3-5-19)27(26)20-6-9-23(10-7-20)29-16-14-21(15-17-29)28(31)32/h1-7,9-11,13,18,21,25,27,30H,8,12,14-17H2,(H,31,32)
InChIKeyOIPRXFUILVDODR-UHFFFAOYSA-N
MW427.54 g/mol
LogP5.56
Rot. Bonds4

About 1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidine-4-carboxylic acid

1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidine-4-carboxylic acid (PubChem CID 164923007) has the molecular formula C28H29NO3 and a molecular weight of 427.54 g/mol. Its IUPAC name is 1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidine-4-carboxylic acid
PubChem CID164923007
Molecular FormulaC28H29NO3
Molecular Weight427.54 g/mol
Exact Mass427.21
IUPAC Name1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(C3c4ccc(O)cc4CCC3c3ccccc3)cc2)CC1
InChIInChI=1S/C28H29NO3/c30-24-11-13-26-22(18-24)8-12-25(19-4-2-1-3-5-19)27(26)20-6-9-23(10-7-20)29-16-14-21(15-17-29)28(31)32/h1-7,9-11,13,18,21,25,27,30H,8,12,14-17H2,(H,31,32)
InChIKeyOIPRXFUILVDODR-UHFFFAOYSA-N
XLogP5.56
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.54
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-1,6-diazacycloundec-1-yl]acetic acid
CID 164924049
(5R,6S)-6-phenyl-5-(4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134579787
6-phenyl-5-[4-[4-(piperazin-1-ylmethyl)piperidin-1-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 176660829
2,2-dimethoxyethanol;ethane;(5R,6S)-6-phenyl-5-(4-pyrrolidin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 142368171
5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrolidine
CID 178025148
trans-(1S,2S)-2-[4-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 171785629
2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,8-diazaspiro[3.5]nonan-8-yl]acetic acid
CID 164924450
2-[8-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]-2,8-diazaspiro[4.5]decan-2-yl]acetaldehyde
CID 164923450
(5R,6S)-5-(4-tert-butylphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 169315914
(5R,6S)-5-[4-(methylamino)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 164923514
1-[4-[4-[[1-[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carbonyl]piperidin-4-yl]methyl]piperazin-1-yl]phenyl]pyrimidine-2,4-dione
CID 170315752
(6S)-5-[4-(2,7-diazaspiro[4.4]nonan-2-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 164923324

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidine-4-carboxylic acid (CID 164923007) is 1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(c2ccc(C3c4ccc(O)cc4CCC3c3ccccc3)cc2)CC1.
What is the InChIKey of 1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidine-4-carboxylic acid?
The InChIKey is OIPRXFUILVDODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO3/c30-24-11-13-26-22(18-24)8-12-25(19-4-2-1-3-5-19)27(26)20-6-9-23(10-7-20)29-16-14-21(15-17-29)28(31)32/h1-7,9-11,13,18,21,25,27,30H,8,12,14-17H2,(H,31,32).
What are the key properties of 1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidine-4-carboxylic acid?
1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidine-4-carboxylic acid has a molecular weight of 427.54 g/mol, XLogP of 5.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 164923007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).