4-phenyl-1-(4-phenylbut-3-ynyl)piperidine

C21H23N — CID 18427959

IUPAC4-phenyl-1-(4-phenylbut-3-ynyl)piperidine
SMILESC(#Cc1ccccc1)CCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H23N/c1-3-9-19(10-4-1)11-7-8-16-22-17-14-21(15-18-22)20-12-5-2-6-13-20/h1-6,9-10,12-13,21H,8,14-18H2
InChIKeyVSRIYVIORLQEQY-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.31
Rot. Bonds3

About 4-phenyl-1-(4-phenylbut-3-ynyl)piperidine

4-phenyl-1-(4-phenylbut-3-ynyl)piperidine (PubChem CID 18427959) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-phenyl-1-(4-phenylbut-3-ynyl)piperidine.

Molecular Properties

Compound Name4-phenyl-1-(4-phenylbut-3-ynyl)piperidine
PubChem CID18427959
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name4-phenyl-1-(4-phenylbut-3-ynyl)piperidine
SMILESC(#Cc1ccccc1)CCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H23N/c1-3-9-19(10-4-1)11-7-8-16-22-17-14-21(15-18-22)20-12-5-2-6-13-20/h1-6,9-10,12-13,21H,8,14-18H2
InChIKeyVSRIYVIORLQEQY-UHFFFAOYSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(4-phenylbut-3-ynyl)piperidine?
The IUPAC name of 4-phenyl-1-(4-phenylbut-3-ynyl)piperidine (CID 18427959) is 4-phenyl-1-(4-phenylbut-3-ynyl)piperidine.
What is the SMILES notation for 4-phenyl-1-(4-phenylbut-3-ynyl)piperidine?
The canonical SMILES for 4-phenyl-1-(4-phenylbut-3-ynyl)piperidine is C(#Cc1ccccc1)CCN1CCC(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-1-(4-phenylbut-3-ynyl)piperidine?
The InChIKey is VSRIYVIORLQEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N/c1-3-9-19(10-4-1)11-7-8-16-22-17-14-21(15-18-22)20-12-5-2-6-13-20/h1-6,9-10,12-13,21H,8,14-18H2.
What are the key properties of 4-phenyl-1-(4-phenylbut-3-ynyl)piperidine?
4-phenyl-1-(4-phenylbut-3-ynyl)piperidine has a molecular weight of 289.42 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(4-phenylbut-3-ynyl)piperidine is sourced from PubChem (CID 18427959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).