4-(3-phenylprop-2-ynyl)piperidine

C14H17N — CID 68977737

IUPAC4-(3-phenylprop-2-ynyl)piperidine
SMILESC(#Cc1ccccc1)CC1CCNCC1
InChIInChI=1S/C14H17N/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h1-3,5-6,14-15H,8-12H2
InChIKeyKKNHAUDRPUDWNL-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.43
Rot. Bonds1

About 4-(3-phenylprop-2-ynyl)piperidine

4-(3-phenylprop-2-ynyl)piperidine (PubChem CID 68977737) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-(3-phenylprop-2-ynyl)piperidine.

Molecular Properties

Compound Name4-(3-phenylprop-2-ynyl)piperidine
PubChem CID68977737
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name4-(3-phenylprop-2-ynyl)piperidine
SMILESC(#Cc1ccccc1)CC1CCNCC1
InChIInChI=1S/C14H17N/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h1-3,5-6,14-15H,8-12H2
InChIKeyKKNHAUDRPUDWNL-UHFFFAOYSA-N
XLogP2.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
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-(3-phenylprop-2-ynyl)piperidine?
The IUPAC name of 4-(3-phenylprop-2-ynyl)piperidine (CID 68977737) is 4-(3-phenylprop-2-ynyl)piperidine.
What is the SMILES notation for 4-(3-phenylprop-2-ynyl)piperidine?
The canonical SMILES for 4-(3-phenylprop-2-ynyl)piperidine is C(#Cc1ccccc1)CC1CCNCC1.
What is the InChIKey of 4-(3-phenylprop-2-ynyl)piperidine?
The InChIKey is KKNHAUDRPUDWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h1-3,5-6,14-15H,8-12H2.
What are the key properties of 4-(3-phenylprop-2-ynyl)piperidine?
4-(3-phenylprop-2-ynyl)piperidine has a molecular weight of 199.30 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylprop-2-ynyl)piperidine is sourced from PubChem (CID 68977737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).