1-[3-(2,6-difluorophenyl)prop-2-ynyl]piperidine

C14H15F2N — CID 160625722

IUPAC1-[3-(2,6-difluorophenyl)prop-2-ynyl]piperidine
SMILESFc1cccc(F)c1C#CCN1CCCCC1
InChIInChI=1S/C14H15F2N/c15-13-7-4-8-14(16)12(13)6-5-11-17-9-2-1-3-10-17/h4,7-8H,1-3,9-11H2
InChIKeyRHGRXNLOSPDWTQ-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.80
Rot. Bonds1

About 1-[3-(2,6-difluorophenyl)prop-2-ynyl]piperidine

1-[3-(2,6-difluorophenyl)prop-2-ynyl]piperidine (PubChem CID 160625722) has the molecular formula C14H15F2N and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-[3-(2,6-difluorophenyl)prop-2-ynyl]piperidine.

Molecular Properties

Compound Name1-[3-(2,6-difluorophenyl)prop-2-ynyl]piperidine
PubChem CID160625722
Molecular FormulaC14H15F2N
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-[3-(2,6-difluorophenyl)prop-2-ynyl]piperidine
SMILESFc1cccc(F)c1C#CCN1CCCCC1
InChIInChI=1S/C14H15F2N/c15-13-7-4-8-14(16)12(13)6-5-11-17-9-2-1-3-10-17/h4,7-8H,1-3,9-11H2
InChIKeyRHGRXNLOSPDWTQ-UHFFFAOYSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.80
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-(2,6-difluorophenyl)prop-2-ynyl]piperidine?
The IUPAC name of 1-[3-(2,6-difluorophenyl)prop-2-ynyl]piperidine (CID 160625722) is 1-[3-(2,6-difluorophenyl)prop-2-ynyl]piperidine.
What is the SMILES notation for 1-[3-(2,6-difluorophenyl)prop-2-ynyl]piperidine?
The canonical SMILES for 1-[3-(2,6-difluorophenyl)prop-2-ynyl]piperidine is Fc1cccc(F)c1C#CCN1CCCCC1.
What is the InChIKey of 1-[3-(2,6-difluorophenyl)prop-2-ynyl]piperidine?
The InChIKey is RHGRXNLOSPDWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N/c15-13-7-4-8-14(16)12(13)6-5-11-17-9-2-1-3-10-17/h4,7-8H,1-3,9-11H2.
What are the key properties of 1-[3-(2,6-difluorophenyl)prop-2-ynyl]piperidine?
1-[3-(2,6-difluorophenyl)prop-2-ynyl]piperidine has a molecular weight of 235.28 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-difluorophenyl)prop-2-ynyl]piperidine is sourced from PubChem (CID 160625722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).