1-[3-(2-methylphenyl)prop-2-ynyl]piperidine

C15H19N — CID 12056783

IUPAC1-[3-(2-methylphenyl)prop-2-ynyl]piperidine
SMILESCc1ccccc1C#CCN1CCCCC1
InChIInChI=1S/C15H19N/c1-14-8-3-4-9-15(14)10-7-13-16-11-5-2-6-12-16/h3-4,8-9H,2,5-6,11-13H2,1H3
InChIKeySWGQLUWKNRYHCU-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.83
Rot. Bonds1

About 1-[3-(2-methylphenyl)prop-2-ynyl]piperidine

1-[3-(2-methylphenyl)prop-2-ynyl]piperidine (PubChem CID 12056783) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[3-(2-methylphenyl)prop-2-ynyl]piperidine.

Molecular Properties

Compound Name1-[3-(2-methylphenyl)prop-2-ynyl]piperidine
PubChem CID12056783
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name1-[3-(2-methylphenyl)prop-2-ynyl]piperidine
SMILESCc1ccccc1C#CCN1CCCCC1
InChIInChI=1S/C15H19N/c1-14-8-3-4-9-15(14)10-7-13-16-11-5-2-6-12-16/h3-4,8-9H,2,5-6,11-13H2,1H3
InChIKeySWGQLUWKNRYHCU-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.83
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-(2-methylphenyl)prop-2-ynyl]piperidine?
The IUPAC name of 1-[3-(2-methylphenyl)prop-2-ynyl]piperidine (CID 12056783) is 1-[3-(2-methylphenyl)prop-2-ynyl]piperidine.
What is the SMILES notation for 1-[3-(2-methylphenyl)prop-2-ynyl]piperidine?
The canonical SMILES for 1-[3-(2-methylphenyl)prop-2-ynyl]piperidine is Cc1ccccc1C#CCN1CCCCC1.
What is the InChIKey of 1-[3-(2-methylphenyl)prop-2-ynyl]piperidine?
The InChIKey is SWGQLUWKNRYHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-14-8-3-4-9-15(14)10-7-13-16-11-5-2-6-12-16/h3-4,8-9H,2,5-6,11-13H2,1H3.
What are the key properties of 1-[3-(2-methylphenyl)prop-2-ynyl]piperidine?
1-[3-(2-methylphenyl)prop-2-ynyl]piperidine has a molecular weight of 213.32 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylphenyl)prop-2-ynyl]piperidine is sourced from PubChem (CID 12056783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).