4-[2-(4-fluorophenyl)ethyl]-1-prop-2-ynylpiperidine

C16H20FN — CID 134366906

IUPAC4-[2-(4-fluorophenyl)ethyl]-1-prop-2-ynylpiperidine
SMILESC#CCN1CCC(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H20FN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h1,5-8,15H,3-4,9-13H2
InChIKeyVCVBCFGQRNJDBO-UHFFFAOYSA-N
MW245.34 g/mol
LogP3.10
Rot. Bonds4

About 4-[2-(4-fluorophenyl)ethyl]-1-prop-2-ynylpiperidine

4-[2-(4-fluorophenyl)ethyl]-1-prop-2-ynylpiperidine (PubChem CID 134366906) has the molecular formula C16H20FN and a molecular weight of 245.34 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethyl]-1-prop-2-ynylpiperidine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethyl]-1-prop-2-ynylpiperidine
PubChem CID134366906
Molecular FormulaC16H20FN
Molecular Weight245.34 g/mol
Exact Mass245.16
IUPAC Name4-[2-(4-fluorophenyl)ethyl]-1-prop-2-ynylpiperidine
SMILESC#CCN1CCC(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H20FN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h1,5-8,15H,3-4,9-13H2
InChIKeyVCVBCFGQRNJDBO-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Fenpropidin
CID 91694
Fenpiprane
CID 197785
Piperidine, 1-(2-phenylethyl)-
CID 9513
Diphemanil
CID 6127
4-Fluoroselegiline
CID 9794264
4-(4-Fluoro-benzyl)-piperidine
CID 3699841
Piperidine, 1-(3,3-diphenylallyl)-
CID 202718
4-[(4-Fluorophenyl)methyl]piperidine hydrochloride
CID 17039492
4-Phenyl-1-(4-phenylbutyl)piperidine
CID 3035672
Pimetine
CID 21091
1-(3-Phenyl-2-propyn-1-yl)piperidine
CID 200711
Piperidine, 4-(diphenylmethylene)-1-methyl-
CID 95734

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethyl]-1-prop-2-ynylpiperidine?
The IUPAC name of 4-[2-(4-fluorophenyl)ethyl]-1-prop-2-ynylpiperidine (CID 134366906) is 4-[2-(4-fluorophenyl)ethyl]-1-prop-2-ynylpiperidine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethyl]-1-prop-2-ynylpiperidine?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethyl]-1-prop-2-ynylpiperidine is C#CCN1CCC(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethyl]-1-prop-2-ynylpiperidine?
The InChIKey is VCVBCFGQRNJDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h1,5-8,15H,3-4,9-13H2.
What are the key properties of 4-[2-(4-fluorophenyl)ethyl]-1-prop-2-ynylpiperidine?
4-[2-(4-fluorophenyl)ethyl]-1-prop-2-ynylpiperidine has a molecular weight of 245.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethyl]-1-prop-2-ynylpiperidine is sourced from PubChem (CID 134366906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).