2-[[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]methyl]phenol

C25H28NO2+ — CID 6966373

IUPAC2-[[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]methyl]phenol
SMILESOc1ccccc1C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H27NO2/c27-24-14-8-7-9-20(24)19-26-17-15-23(16-18-26)25(28,21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-14,23,27-28H,15-19H2/p+1
InChIKeyBEWKCMFWZLJERS-UHFFFAOYSA-O
MW374.50 g/mol
LogP3.12
Rot. Bonds5

About 2-[[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]methyl]phenol

2-[[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]methyl]phenol (PubChem CID 6966373) has the molecular formula C25H28NO2+ and a molecular weight of 374.50 g/mol. Its IUPAC name is 2-[[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]methyl]phenol
PubChem CID6966373
Molecular FormulaC25H28NO2+
Molecular Weight374.50 g/mol
Exact Mass374.21
IUPAC Name2-[[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]methyl]phenol
SMILESOc1ccccc1C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H27NO2/c27-24-14-8-7-9-20(24)19-26-17-15-23(16-18-26)25(28,21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-14,23,27-28H,15-19H2/p+1
InChIKeyBEWKCMFWZLJERS-UHFFFAOYSA-O
XLogP3.12
TPSA44.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

[1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-piperidin-1-ylmethanone
CID 7297487
N-benzyl-1-[(2-hydroxyphenyl)methyl]-N-methylpiperidin-1-ium-4-carboxamide
CID 6944696
1-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide
CID 7334866
diphenyl-[1-(2-prop-2-enylphenyl)piperidin-4-yl]methanol
CID 70426387
[1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol
CID 174760592
2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenol
CID 7445351
[1-[2-(2-tert-butylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol
CID 118322614
2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]butyl]phenyl]-2-methylpropanoic acid;nonadecane
CID 159665113
[(2S,7R,8aS)-2-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-indolizin-4-ium-7-yl]-diphenylmethanol
CID 7385508
2-(azepan-1-ium-1-ylmethyl)-4-phenylphenol
CID 7206941
1,5-bis[(4-benzylpiperidin-1-ium-1-yl)methyl]naphthalene-2,6-diol
CID 7897158
4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonyl fluoride
CID 130224151

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]methyl]phenol?
The IUPAC name of 2-[[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]methyl]phenol (CID 6966373) is 2-[[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]methyl]phenol.
What is the SMILES notation for 2-[[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]methyl]phenol?
The canonical SMILES for 2-[[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]methyl]phenol is Oc1ccccc1C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]methyl]phenol?
The InChIKey is BEWKCMFWZLJERS-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H27NO2/c27-24-14-8-7-9-20(24)19-26-17-15-23(16-18-26)25(28,21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-14,23,27-28H,15-19H2/p+1.
What are the key properties of 2-[[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]methyl]phenol?
2-[[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]methyl]phenol has a molecular weight of 374.50 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]methyl]phenol is sourced from PubChem (CID 6966373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).