4-benzhydrylidene-1-(4-phenylbutyl)piperidine

C28H31N — CID 10091257

IUPAC4-benzhydrylidene-1-(4-phenylbutyl)piperidine
SMILESc1ccc(CCCCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H31N/c1-4-12-24(13-5-1)14-10-11-21-29-22-19-27(20-23-29)28(25-15-6-2-7-16-25)26-17-8-3-9-18-26/h1-9,12-13,15-18H,10-11,14,19-23H2
InChIKeyLEEDDCKBKUWVBL-UHFFFAOYSA-N
MW381.56 g/mol
LogP6.61
Rot. Bonds7

About 4-benzhydrylidene-1-(4-phenylbutyl)piperidine

4-benzhydrylidene-1-(4-phenylbutyl)piperidine (PubChem CID 10091257) has the molecular formula C28H31N and a molecular weight of 381.56 g/mol. Its IUPAC name is 4-benzhydrylidene-1-(4-phenylbutyl)piperidine.

Molecular Properties

Compound Name4-benzhydrylidene-1-(4-phenylbutyl)piperidine
PubChem CID10091257
Molecular FormulaC28H31N
Molecular Weight381.56 g/mol
Exact Mass381.25
IUPAC Name4-benzhydrylidene-1-(4-phenylbutyl)piperidine
SMILESc1ccc(CCCCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H31N/c1-4-12-24(13-5-1)14-10-11-21-29-22-19-27(20-23-29)28(25-15-6-2-7-16-25)26-17-8-3-9-18-26/h1-9,12-13,15-18H,10-11,14,19-23H2
InChIKeyLEEDDCKBKUWVBL-UHFFFAOYSA-N
XLogP6.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-benzhydrylidene-1-(4-phenylbutyl)piperidine?
The IUPAC name of 4-benzhydrylidene-1-(4-phenylbutyl)piperidine (CID 10091257) is 4-benzhydrylidene-1-(4-phenylbutyl)piperidine.
What is the SMILES notation for 4-benzhydrylidene-1-(4-phenylbutyl)piperidine?
The canonical SMILES for 4-benzhydrylidene-1-(4-phenylbutyl)piperidine is c1ccc(CCCCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzhydrylidene-1-(4-phenylbutyl)piperidine?
The InChIKey is LEEDDCKBKUWVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N/c1-4-12-24(13-5-1)14-10-11-21-29-22-19-27(20-23-29)28(25-15-6-2-7-16-25)26-17-8-3-9-18-26/h1-9,12-13,15-18H,10-11,14,19-23H2.
What are the key properties of 4-benzhydrylidene-1-(4-phenylbutyl)piperidine?
4-benzhydrylidene-1-(4-phenylbutyl)piperidine has a molecular weight of 381.56 g/mol, XLogP of 6.61, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydrylidene-1-(4-phenylbutyl)piperidine is sourced from PubChem (CID 10091257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).