4-[[2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol

C32H34N2O2 — CID 57217646

IUPAC4-[[2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol
SMILESOc1ccc(C(c2ccc(O)cc2)c2ccccc2CNC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C32H34N2O2/c35-29-14-10-25(11-15-29)32(26-12-16-30(36)17-13-26)31-9-5-4-8-27(31)22-33-28-18-20-34(21-19-28)23-24-6-2-1-3-7-24/h1-17,28,32-33,35-36H,18-23H2
InChIKeyCMDOZRXEVPIZPZ-UHFFFAOYSA-N
MW478.64 g/mol
LogP6.03
Rot. Bonds8

About 4-[[2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol

4-[[2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol (PubChem CID 57217646) has the molecular formula C32H34N2O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is 4-[[2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[[2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol
PubChem CID57217646
Molecular FormulaC32H34N2O2
Molecular Weight478.64 g/mol
Exact Mass478.26
IUPAC Name4-[[2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol
SMILESOc1ccc(C(c2ccc(O)cc2)c2ccccc2CNC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C32H34N2O2/c35-29-14-10-25(11-15-29)32(26-12-16-30(36)17-13-26)31-9-5-4-8-27(31)22-33-28-18-20-34(21-19-28)23-24-6-2-1-3-7-24/h1-17,28,32-33,35-36H,18-23H2
InChIKeyCMDOZRXEVPIZPZ-UHFFFAOYSA-N
XLogP6.03
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 56.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
CID 83453608
1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine
CID 23738592
4-[1-[[2-[bis(4-hydroxyphenyl)methyl]phenyl]methyl]piperidin-4-yl]-5H-1,3-oxazol-2-one
CID 67813431
[(1-benzylpiperidin-4-yl)amino]carbamic acid
CID 68925695
1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 17159249
1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine
CID 1378352
2-[(1-benzylpiperidin-4-yl)amino]-1-cyclopropylethanol
CID 63294565
1-benzyl-N-[[2-[4-[(cyclopentylamino)methyl]phenyl]phenyl]methyl]piperidin-4-amine
CID 44534713
3-[1-[[2-[bis(4-hydroxyphenyl)methyl]phenyl]methyl]piperidin-4-yl]-1,3-oxazol-2-one
CID 67813423
2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyridin-2-ylphenol
CID 135971342
1-benzyl-N-[[4-[(E)-2-phenylethenyl]phenyl]methyl]piperidin-4-amine
CID 10177971
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 4846950

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol?
The IUPAC name of 4-[[2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol (CID 57217646) is 4-[[2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 4-[[2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 4-[[2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol is Oc1ccc(C(c2ccc(O)cc2)c2ccccc2CNC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[[2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol?
The InChIKey is CMDOZRXEVPIZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O2/c35-29-14-10-25(11-15-29)32(26-12-16-30(36)17-13-26)31-9-5-4-8-27(31)22-33-28-18-20-34(21-19-28)23-24-6-2-1-3-7-24/h1-17,28,32-33,35-36H,18-23H2.
What are the key properties of 4-[[2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol?
4-[[2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol has a molecular weight of 478.64 g/mol, XLogP of 6.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 57217646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).