1-(3-phenylprop-2-ynyl)piperidine;hydrochloride

C14H18ClN — CID 2827420

IUPAC1-(3-phenylprop-2-ynyl)piperidine;hydrochloride
SMILESC(#Cc1ccccc1)CN1CCCCC1.Cl
InChIInChI=1S/C14H17N.ClH/c1-3-8-14(9-4-1)10-7-13-15-11-5-2-6-12-15;/h1,3-4,8-9H,2,5-6,11-13H2;1H
InChIKeyWZKOJHHIVNXREG-UHFFFAOYSA-N
MW235.76 g/mol
LogP2.95
Rot. Bonds1

About 1-(3-phenylprop-2-ynyl)piperidine;hydrochloride

1-(3-phenylprop-2-ynyl)piperidine;hydrochloride (PubChem CID 2827420) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 1-(3-phenylprop-2-ynyl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-(3-phenylprop-2-ynyl)piperidine;hydrochloride
PubChem CID2827420
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name1-(3-phenylprop-2-ynyl)piperidine;hydrochloride
SMILESC(#Cc1ccccc1)CN1CCCCC1.Cl
InChIInChI=1S/C14H17N.ClH/c1-3-8-14(9-4-1)10-7-13-15-11-5-2-6-12-15;/h1,3-4,8-9H,2,5-6,11-13H2;1H
InChIKeyWZKOJHHIVNXREG-UHFFFAOYSA-N
XLogP2.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 52.95
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-(3-phenylprop-2-ynyl)piperidine;hydrochloride?
The IUPAC name of 1-(3-phenylprop-2-ynyl)piperidine;hydrochloride (CID 2827420) is 1-(3-phenylprop-2-ynyl)piperidine;hydrochloride.
What is the SMILES notation for 1-(3-phenylprop-2-ynyl)piperidine;hydrochloride?
The canonical SMILES for 1-(3-phenylprop-2-ynyl)piperidine;hydrochloride is C(#Cc1ccccc1)CN1CCCCC1.Cl.
What is the InChIKey of 1-(3-phenylprop-2-ynyl)piperidine;hydrochloride?
The InChIKey is WZKOJHHIVNXREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N.ClH/c1-3-8-14(9-4-1)10-7-13-15-11-5-2-6-12-15;/h1,3-4,8-9H,2,5-6,11-13H2;1H.
What are the key properties of 1-(3-phenylprop-2-ynyl)piperidine;hydrochloride?
1-(3-phenylprop-2-ynyl)piperidine;hydrochloride has a molecular weight of 235.76 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylprop-2-ynyl)piperidine;hydrochloride is sourced from PubChem (CID 2827420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).