4-(4-hydroxyphenyl)-4-phenylpiperidine-1-carboxylic acid

C18H19NO3 — CID 91426619

IUPAC4-(4-hydroxyphenyl)-4-phenylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccccc2)(c2ccc(O)cc2)CC1
InChIInChI=1S/C18H19NO3/c20-16-8-6-15(7-9-16)18(14-4-2-1-3-5-14)10-12-19(13-11-18)17(21)22/h1-9,20H,10-13H2,(H,21,22)
InChIKeyVEXBGSMNWKCHAO-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.45
Rot. Bonds2

About 4-(4-hydroxyphenyl)-4-phenylpiperidine-1-carboxylic acid

4-(4-hydroxyphenyl)-4-phenylpiperidine-1-carboxylic acid (PubChem CID 91426619) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-4-phenylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-4-phenylpiperidine-1-carboxylic acid
PubChem CID91426619
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name4-(4-hydroxyphenyl)-4-phenylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccccc2)(c2ccc(O)cc2)CC1
InChIInChI=1S/C18H19NO3/c20-16-8-6-15(7-9-16)18(14-4-2-1-3-5-14)10-12-19(13-11-18)17(21)22/h1-9,20H,10-13H2,(H,21,22)
InChIKeyVEXBGSMNWKCHAO-UHFFFAOYSA-N
XLogP3.45
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-benzimidazol-2-yl)-4-phenylpiperidine-1-carboxylic acid
CID 22240874
4-[2-hydroxy-5-(2-hydroxyethyl)phenyl]-4-phenylpiperidine-1-carboxylic acid
CID 154352659
4-(1-phenylcyclopropyl)benzoic acid
CID 19600113
4-(2-benzyltetrazol-5-yl)-4-phenylpiperidine-1-carboxylic acid
CID 22240699
4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol
CID 59289752
(3S,4S)-3,4-dihydroxy-4-phenylpiperidine-1-carboxylic acid
CID 67332578
4-hydroxy-4-[(2-hydroxyphenyl)methyl]piperidine-1-carboxylic acid
CID 175280270
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 66954084
4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol
CID 22729919
4-[2-[(4-tert-butylphenyl)methyl]tetrazol-5-yl]-4-phenylpiperidine-1-carboxylic acid
CID 22240887
4-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-1-carboxylic acid
CID 69359350
[3-(4-hydroxyphenyl)phenyl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
CID 74250458

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-4-phenylpiperidine-1-carboxylic acid?
The IUPAC name of 4-(4-hydroxyphenyl)-4-phenylpiperidine-1-carboxylic acid (CID 91426619) is 4-(4-hydroxyphenyl)-4-phenylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-hydroxyphenyl)-4-phenylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-hydroxyphenyl)-4-phenylpiperidine-1-carboxylic acid is O=C(O)N1CCC(c2ccccc2)(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-(4-hydroxyphenyl)-4-phenylpiperidine-1-carboxylic acid?
The InChIKey is VEXBGSMNWKCHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-16-8-6-15(7-9-16)18(14-4-2-1-3-5-14)10-12-19(13-11-18)17(21)22/h1-9,20H,10-13H2,(H,21,22).
What are the key properties of 4-(4-hydroxyphenyl)-4-phenylpiperidine-1-carboxylic acid?
4-(4-hydroxyphenyl)-4-phenylpiperidine-1-carboxylic acid has a molecular weight of 297.35 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-4-phenylpiperidine-1-carboxylic acid is sourced from PubChem (CID 91426619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).