4-(4-ethynylphenyl)-1-(3-fluoropropyl)piperidine

C16H20FN — CID 138735134

IUPAC4-(4-ethynylphenyl)-1-(3-fluoropropyl)piperidine
SMILESC#Cc1ccc(C2CCN(CCCF)CC2)cc1
InChIInChI=1S/C16H20FN/c1-2-14-4-6-15(7-5-14)16-8-12-18(13-9-16)11-3-10-17/h1,4-7,16H,3,8-13H2
InChIKeyVEWIUKAVENEGJH-UHFFFAOYSA-N
MW245.34 g/mol
LogP3.21
Rot. Bonds4

About 4-(4-ethynylphenyl)-1-(3-fluoropropyl)piperidine

4-(4-ethynylphenyl)-1-(3-fluoropropyl)piperidine (PubChem CID 138735134) has the molecular formula C16H20FN and a molecular weight of 245.34 g/mol. Its IUPAC name is 4-(4-ethynylphenyl)-1-(3-fluoropropyl)piperidine.

Molecular Properties

Compound Name4-(4-ethynylphenyl)-1-(3-fluoropropyl)piperidine
PubChem CID138735134
Molecular FormulaC16H20FN
Molecular Weight245.34 g/mol
Exact Mass245.16
IUPAC Name4-(4-ethynylphenyl)-1-(3-fluoropropyl)piperidine
SMILESC#Cc1ccc(C2CCN(CCCF)CC2)cc1
InChIInChI=1S/C16H20FN/c1-2-14-4-6-15(7-5-14)16-8-12-18(13-9-16)11-3-10-17/h1,4-7,16H,3,8-13H2
InChIKeyVEWIUKAVENEGJH-UHFFFAOYSA-N
XLogP3.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 53.21
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 4-(4-ethynylphenyl)-1-(3-fluoropropyl)piperidine?
The IUPAC name of 4-(4-ethynylphenyl)-1-(3-fluoropropyl)piperidine (CID 138735134) is 4-(4-ethynylphenyl)-1-(3-fluoropropyl)piperidine.
What is the SMILES notation for 4-(4-ethynylphenyl)-1-(3-fluoropropyl)piperidine?
The canonical SMILES for 4-(4-ethynylphenyl)-1-(3-fluoropropyl)piperidine is C#Cc1ccc(C2CCN(CCCF)CC2)cc1.
What is the InChIKey of 4-(4-ethynylphenyl)-1-(3-fluoropropyl)piperidine?
The InChIKey is VEWIUKAVENEGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN/c1-2-14-4-6-15(7-5-14)16-8-12-18(13-9-16)11-3-10-17/h1,4-7,16H,3,8-13H2.
What are the key properties of 4-(4-ethynylphenyl)-1-(3-fluoropropyl)piperidine?
4-(4-ethynylphenyl)-1-(3-fluoropropyl)piperidine has a molecular weight of 245.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethynylphenyl)-1-(3-fluoropropyl)piperidine is sourced from PubChem (CID 138735134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).