4-[(Z)-2-(3-fluorophenyl)ethenyl]-1-prop-2-ynylpiperidine

C16H18FN — CID 155521124

IUPAC4-[(Z)-2-(3-fluorophenyl)ethenyl]-1-prop-2-ynylpiperidine
SMILESC#CCN1CCC(/C=C\c2cccc(F)c2)CC1
InChIInChI=1S/C16H18FN/c1-2-10-18-11-8-14(9-12-18)6-7-15-4-3-5-16(17)13-15/h1,3-7,13-14H,8-12H2/b7-6-
InChIKeyNWGHDZJPSJYPKW-SREVYHEPSA-N
MW243.33 g/mol
LogP3.18
Rot. Bonds3

About 4-[(Z)-2-(3-fluorophenyl)ethenyl]-1-prop-2-ynylpiperidine

4-[(Z)-2-(3-fluorophenyl)ethenyl]-1-prop-2-ynylpiperidine (PubChem CID 155521124) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-[(Z)-2-(3-fluorophenyl)ethenyl]-1-prop-2-ynylpiperidine.

Molecular Properties

Compound Name4-[(Z)-2-(3-fluorophenyl)ethenyl]-1-prop-2-ynylpiperidine
PubChem CID155521124
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC Name4-[(Z)-2-(3-fluorophenyl)ethenyl]-1-prop-2-ynylpiperidine
SMILESC#CCN1CCC(/C=C\c2cccc(F)c2)CC1
InChIInChI=1S/C16H18FN/c1-2-10-18-11-8-14(9-12-18)6-7-15-4-3-5-16(17)13-15/h1,3-7,13-14H,8-12H2/b7-6-
InChIKeyNWGHDZJPSJYPKW-SREVYHEPSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.18
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

Fenpiprane
CID 197785
Piperidine, 1-(2-phenylethyl)-
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4-Fluoroselegiline
CID 9794264
4-(4-Fluoro-benzyl)-piperidine
CID 3699841
4-Phenyl-1-(4-phenylbutyl)piperidine
CID 3035672
Pimetine
CID 21091
1-(3-Phenyl-2-propyn-1-yl)piperidine
CID 200711
1,1-Dimethyl-4-phenylpiperidin-1-ium iodide
CID 202330
4-Phenyl-1-(5-phenyl-pentyl)-piperidine
CID 126229
4-Methyl-1-(5-phenyl-pentyl)-piperidine
CID 9992101
Piperidine, 1-(5-phenylpentyl)-
CID 10331473
4-Benzyl-1-(4-phenylbutyl)piperidine
CID 11722772

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(3-fluorophenyl)ethenyl]-1-prop-2-ynylpiperidine?
The IUPAC name of 4-[(Z)-2-(3-fluorophenyl)ethenyl]-1-prop-2-ynylpiperidine (CID 155521124) is 4-[(Z)-2-(3-fluorophenyl)ethenyl]-1-prop-2-ynylpiperidine.
What is the SMILES notation for 4-[(Z)-2-(3-fluorophenyl)ethenyl]-1-prop-2-ynylpiperidine?
The canonical SMILES for 4-[(Z)-2-(3-fluorophenyl)ethenyl]-1-prop-2-ynylpiperidine is C#CCN1CCC(/C=C\c2cccc(F)c2)CC1.
What is the InChIKey of 4-[(Z)-2-(3-fluorophenyl)ethenyl]-1-prop-2-ynylpiperidine?
The InChIKey is NWGHDZJPSJYPKW-SREVYHEPSA-N. The full InChI is InChI=1S/C16H18FN/c1-2-10-18-11-8-14(9-12-18)6-7-15-4-3-5-16(17)13-15/h1,3-7,13-14H,8-12H2/b7-6-.
What are the key properties of 4-[(Z)-2-(3-fluorophenyl)ethenyl]-1-prop-2-ynylpiperidine?
4-[(Z)-2-(3-fluorophenyl)ethenyl]-1-prop-2-ynylpiperidine has a molecular weight of 243.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(3-fluorophenyl)ethenyl]-1-prop-2-ynylpiperidine is sourced from PubChem (CID 155521124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).