4-(2-benzhydryloxyethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine

C27H28FNO — CID 11729096

IUPAC4-(2-benzhydryloxyethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine
SMILESFc1ccc(CN2CC=C(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C27H28FNO/c28-26-13-11-23(12-14-26)21-29-18-15-22(16-19-29)17-20-30-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-15,27H,16-21H2
InChIKeyVKSQKCXBMWPAJE-UHFFFAOYSA-N
MW401.53 g/mol
LogP6.15
Rot. Bonds8

About 4-(2-benzhydryloxyethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine

4-(2-benzhydryloxyethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine (PubChem CID 11729096) has the molecular formula C27H28FNO and a molecular weight of 401.53 g/mol. Its IUPAC name is 4-(2-benzhydryloxyethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(2-benzhydryloxyethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine
PubChem CID11729096
Molecular FormulaC27H28FNO
Molecular Weight401.53 g/mol
Exact Mass401.22
IUPAC Name4-(2-benzhydryloxyethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine
SMILESFc1ccc(CN2CC=C(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C27H28FNO/c28-26-13-11-23(12-14-26)21-29-18-15-22(16-19-29)17-20-30-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-15,27H,16-21H2
InChIKeyVKSQKCXBMWPAJE-UHFFFAOYSA-N
XLogP6.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.53
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-Benzhydryl-4-ethoxy-4-phenylpiperidine
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1-Benzhydryl-4-methoxy-4-phenylpiperidine
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1-Benzhydryl-4-phenyl-4-propoxypiperidine
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1-Benzhydryl-4-(benzyloxy)-4-phenylpiperidine
CID 10388166
1-{2-[Bis(4-fluorophenyl)methoxy]ethyl}-4-(2-phenylethyl)piperazine
CID 12634880
1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2S)-2-fluoro-3-phenylpropyl]piperazine
CID 24825324
1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2R)-2-fluoro-3-phenylpropyl]piperazine
CID 24825325
1-{2-[Bis(4-fluorophenyl)methoxy]ethyl}-4-(3-phenylbut-3-en-1-yl)piperazine
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CID 24825330

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzhydryloxyethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(2-benzhydryloxyethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine (CID 11729096) is 4-(2-benzhydryloxyethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(2-benzhydryloxyethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(2-benzhydryloxyethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine is Fc1ccc(CN2CC=C(CCOC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(2-benzhydryloxyethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine?
The InChIKey is VKSQKCXBMWPAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FNO/c28-26-13-11-23(12-14-26)21-29-18-15-22(16-19-29)17-20-30-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-15,27H,16-21H2.
What are the key properties of 4-(2-benzhydryloxyethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine?
4-(2-benzhydryloxyethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine has a molecular weight of 401.53 g/mol, XLogP of 6.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzhydryloxyethyl)-1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 11729096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).