2-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]-6-methoxyphenol

C28H33NO3 — CID 44529534

IUPAC2-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]-6-methoxyphenol
SMILESCOc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1O
InChIInChI=1S/C28H33NO3/c1-31-26-14-8-13-25(27(26)30)21-29-18-15-22(16-19-29)17-20-32-28(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-14,22,28,30H,15-21H2,1H3
InChIKeyGFUIAZBDFWPOBU-UHFFFAOYSA-N
MW431.58 g/mol
LogP5.81
Rot. Bonds9

About 2-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]-6-methoxyphenol

2-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]-6-methoxyphenol (PubChem CID 44529534) has the molecular formula C28H33NO3 and a molecular weight of 431.58 g/mol. Its IUPAC name is 2-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]-6-methoxyphenol
PubChem CID44529534
Molecular FormulaC28H33NO3
Molecular Weight431.58 g/mol
Exact Mass431.25
IUPAC Name2-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]-6-methoxyphenol
SMILESCOc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1O
InChIInChI=1S/C28H33NO3/c1-31-26-14-8-13-25(27(26)30)21-29-18-15-22(16-19-29)17-20-32-28(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-14,22,28,30H,15-21H2,1H3
InChIKeyGFUIAZBDFWPOBU-UHFFFAOYSA-N
XLogP5.81
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol
CID 82979967
4-(2-benzhydryloxyethyl)-1-(naphthalen-1-ylmethyl)piperidine
CID 101165281
2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid
CID 163328183
1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine
CID 10025195
2-methoxy-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol
CID 82962319
4-(2-benzhydryloxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 44529538
1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3884860
4-(2-benzhydryloxyethyl)-1-(2-phenylethyl)piperidine
CID 10046504
2-methoxy-6-[[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methyl]phenol
CID 95135561
N-tert-butyl-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 795625
1-(2-benzhydryloxyethyl)-4-benzylpiperidine
CID 127026610
2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-4-methylphenol
CID 2491619

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]-6-methoxyphenol?
The IUPAC name of 2-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]-6-methoxyphenol (CID 44529534) is 2-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]-6-methoxyphenol is COc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1O.
What is the InChIKey of 2-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]-6-methoxyphenol?
The InChIKey is GFUIAZBDFWPOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO3/c1-31-26-14-8-13-25(27(26)30)21-29-18-15-22(16-19-29)17-20-32-28(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-14,22,28,30H,15-21H2,1H3.
What are the key properties of 2-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]-6-methoxyphenol?
2-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]-6-methoxyphenol has a molecular weight of 431.58 g/mol, XLogP of 5.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]-6-methoxyphenol is sourced from PubChem (CID 44529534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).