4-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxymethyl]pyridine

C26H28N2O — CID 139685650

IUPAC4-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxymethyl]pyridine
SMILESc1ccc(C(=C2CCN(CCOCc3ccncc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O/c1-3-7-23(8-4-1)26(24-9-5-2-6-10-24)25-13-17-28(18-14-25)19-20-29-21-22-11-15-27-16-12-22/h1-12,15-16H,13-14,17-21H2
InChIKeyPVFOZOKJNZVDQR-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.20
Rot. Bonds7

About 4-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxymethyl]pyridine

4-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxymethyl]pyridine (PubChem CID 139685650) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 4-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxymethyl]pyridine.

Molecular Properties

Compound Name4-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxymethyl]pyridine
PubChem CID139685650
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name4-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxymethyl]pyridine
SMILESc1ccc(C(=C2CCN(CCOCc3ccncc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O/c1-3-7-23(8-4-1)26(24-9-5-2-6-10-24)25-13-17-28(18-14-25)19-20-29-21-22-11-15-27-16-12-22/h1-12,15-16H,13-14,17-21H2
InChIKeyPVFOZOKJNZVDQR-UHFFFAOYSA-N
XLogP5.20
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-benzhydrylidenepiperidin-1-yl)-3-(pyridin-4-ylmethoxy)propan-2-ol
CID 139685751
2-[2-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxy]ethoxy]ethanol;hydrochloride
CID 71587103
1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
2-[2-[4-[(4-chlorophenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetic acid
CID 54424990
2-[2-[4-[(4-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetamide
CID 54271471
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
4-benzhydrylidene-1-ethylpiperidine
CID 19370284
4-(4-benzhydrylidenepiperidin-1-yl)butan-2-one
CID 59641773
1-(3-methyl-4-pyridinyl)-4-(2-phenylmethoxyethyl)-1,4-diazepane
CID 134699200
1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine
CID 10732658
1-(2-phenylmethoxyethyl)piperazine;dihydrochloride
CID 154704526
bis(3-[4-(2-phenylmethoxyethyl)piperazin-1-yl]propanoic acid);hydrate
CID 156599366

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxymethyl]pyridine?
The IUPAC name of 4-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxymethyl]pyridine (CID 139685650) is 4-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxymethyl]pyridine.
What is the SMILES notation for 4-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxymethyl]pyridine?
The canonical SMILES for 4-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxymethyl]pyridine is c1ccc(C(=C2CCN(CCOCc3ccncc3)CC2)c2ccccc2)cc1.
What is the InChIKey of 4-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxymethyl]pyridine?
The InChIKey is PVFOZOKJNZVDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-3-7-23(8-4-1)26(24-9-5-2-6-10-24)25-13-17-28(18-14-25)19-20-29-21-22-11-15-27-16-12-22/h1-12,15-16H,13-14,17-21H2.
What are the key properties of 4-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxymethyl]pyridine?
4-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxymethyl]pyridine has a molecular weight of 384.52 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxymethyl]pyridine is sourced from PubChem (CID 139685650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).