4-[(E)-2-phenylethenyl]-1-prop-2-ynylpiperidine

C16H19N — CID 134385640

IUPAC4-[(E)-2-phenylethenyl]-1-prop-2-ynylpiperidine
SMILESC#CCN1CCC(/C=C/c2ccccc2)CC1
InChIInChI=1S/C16H19N/c1-2-12-17-13-10-16(11-14-17)9-8-15-6-4-3-5-7-15/h1,3-9,16H,10-14H2/b9-8+
InChIKeyWTYNLFJZCFEFLO-CMDGGOBGSA-N
MW225.34 g/mol
LogP3.05
Rot. Bonds3

About 4-[(E)-2-phenylethenyl]-1-prop-2-ynylpiperidine

4-[(E)-2-phenylethenyl]-1-prop-2-ynylpiperidine (PubChem CID 134385640) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-[(E)-2-phenylethenyl]-1-prop-2-ynylpiperidine.

Molecular Properties

Compound Name4-[(E)-2-phenylethenyl]-1-prop-2-ynylpiperidine
PubChem CID134385640
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name4-[(E)-2-phenylethenyl]-1-prop-2-ynylpiperidine
SMILESC#CCN1CCC(/C=C/c2ccccc2)CC1
InChIInChI=1S/C16H19N/c1-2-12-17-13-10-16(11-14-17)9-8-15-6-4-3-5-7-15/h1,3-9,16H,10-14H2/b9-8+
InChIKeyWTYNLFJZCFEFLO-CMDGGOBGSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.05
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

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Fenpropidin
CID 91694
Alverine
CID 3678
4-Benzylpiperidine
CID 31738
(+-)-Selegiline
CID 5195
Fenpiprane
CID 197785
Piperidine, 1-(2-phenylethyl)-
CID 9513
Deprenyl hydrochloride
CID 92913
Diphemanil
CID 6127
Piperidine, 1-(3,3-diphenylallyl)-
CID 202718

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-phenylethenyl]-1-prop-2-ynylpiperidine?
The IUPAC name of 4-[(E)-2-phenylethenyl]-1-prop-2-ynylpiperidine (CID 134385640) is 4-[(E)-2-phenylethenyl]-1-prop-2-ynylpiperidine.
What is the SMILES notation for 4-[(E)-2-phenylethenyl]-1-prop-2-ynylpiperidine?
The canonical SMILES for 4-[(E)-2-phenylethenyl]-1-prop-2-ynylpiperidine is C#CCN1CCC(/C=C/c2ccccc2)CC1.
What is the InChIKey of 4-[(E)-2-phenylethenyl]-1-prop-2-ynylpiperidine?
The InChIKey is WTYNLFJZCFEFLO-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H19N/c1-2-12-17-13-10-16(11-14-17)9-8-15-6-4-3-5-7-15/h1,3-9,16H,10-14H2/b9-8+.
What are the key properties of 4-[(E)-2-phenylethenyl]-1-prop-2-ynylpiperidine?
4-[(E)-2-phenylethenyl]-1-prop-2-ynylpiperidine has a molecular weight of 225.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-phenylethenyl]-1-prop-2-ynylpiperidine is sourced from PubChem (CID 134385640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).