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

C15H19N — CID 45482498

IUPAC1-(4-phenylbut-3-ynyl)piperidine
SMILESC(#Cc1ccccc1)CCN1CCCCC1
InChIInChI=1S/C15H19N/c1-3-9-15(10-4-1)11-5-8-14-16-12-6-2-7-13-16/h1,3-4,9-10H,2,6-8,12-14H2
InChIKeyPBQQXALDAWSWMT-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.91
Rot. Bonds2

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

1-(4-phenylbut-3-ynyl)piperidine (PubChem CID 45482498) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(4-phenylbut-3-ynyl)piperidine.

Molecular Properties

Compound Name1-(4-phenylbut-3-ynyl)piperidine
PubChem CID45482498
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name1-(4-phenylbut-3-ynyl)piperidine
SMILESC(#Cc1ccccc1)CCN1CCCCC1
InChIInChI=1S/C15H19N/c1-3-9-15(10-4-1)11-5-8-14-16-12-6-2-7-13-16/h1,3-4,9-10H,2,6-8,12-14H2
InChIKeyPBQQXALDAWSWMT-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.91
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 1-(4-phenylbut-3-ynyl)piperidine?
The IUPAC name of 1-(4-phenylbut-3-ynyl)piperidine (CID 45482498) is 1-(4-phenylbut-3-ynyl)piperidine.
What is the SMILES notation for 1-(4-phenylbut-3-ynyl)piperidine?
The canonical SMILES for 1-(4-phenylbut-3-ynyl)piperidine is C(#Cc1ccccc1)CCN1CCCCC1.
What is the InChIKey of 1-(4-phenylbut-3-ynyl)piperidine?
The InChIKey is PBQQXALDAWSWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-3-9-15(10-4-1)11-5-8-14-16-12-6-2-7-13-16/h1,3-4,9-10H,2,6-8,12-14H2.
What are the key properties of 1-(4-phenylbut-3-ynyl)piperidine?
1-(4-phenylbut-3-ynyl)piperidine has a molecular weight of 213.32 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylbut-3-ynyl)piperidine is sourced from PubChem (CID 45482498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).