3-[[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methyl]benzoic acid

C26H27NO3 — CID 118717670

IUPAC3-[[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methyl]benzoic acid
SMILESO=C(O)c1cccc(CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C26H27NO3/c28-25(29)21-9-7-8-20(18-21)19-27-16-14-24(15-17-27)26(30,22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-13,18,24,30H,14-17,19H2,(H,28,29)
InChIKeyHNDCVUYSRWGVQO-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.53
Rot. Bonds6

About 3-[[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methyl]benzoic acid

3-[[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methyl]benzoic acid (PubChem CID 118717670) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 3-[[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methyl]benzoic acid
PubChem CID118717670
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Name3-[[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methyl]benzoic acid
SMILESO=C(O)c1cccc(CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C26H27NO3/c28-25(29)21-9-7-8-20(18-21)19-27-16-14-24(15-17-27)26(30,22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-13,18,24,30H,14-17,19H2,(H,28,29)
InChIKeyHNDCVUYSRWGVQO-UHFFFAOYSA-N
XLogP4.53
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

diphenyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanol;oxalic acid
CID 163328691
3-[(4-phenylpiperidin-1-yl)methyl]benzoic acid
CID 122028587
1-[(3-carboxyphenyl)methyl]piperidine-4-carboxylic acid
CID 82162737
[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-diphenylmethanol
CID 4678685
(1-benzylpiperidin-4-yl)-bis(4-methylphenyl)methanol
CID 14698737
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
3-[[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzoic acid
CID 122028578
3-(azepan-1-ylmethyl)benzoic acid;hydrochloride
CID 138113123
[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-diphenylmethanol
CID 3435769
3-[[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]methyl]benzoic acid
CID 87689236
CID 154293983
CID 154293983
3-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]benzoic acid
CID 122028603

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methyl]benzoic acid?
The IUPAC name of 3-[[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methyl]benzoic acid (CID 118717670) is 3-[[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methyl]benzoic acid.
What is the SMILES notation for 3-[[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methyl]benzoic acid?
The canonical SMILES for 3-[[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methyl]benzoic acid is O=C(O)c1cccc(CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1.
What is the InChIKey of 3-[[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methyl]benzoic acid?
The InChIKey is HNDCVUYSRWGVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO3/c28-25(29)21-9-7-8-20(18-21)19-27-16-14-24(15-17-27)26(30,22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-13,18,24,30H,14-17,19H2,(H,28,29).
What are the key properties of 3-[[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methyl]benzoic acid?
3-[[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methyl]benzoic acid has a molecular weight of 401.51 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methyl]benzoic acid is sourced from PubChem (CID 118717670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).