4-[(E)-2-(4-cyclopropylphenyl)ethenyl]-1-prop-2-ynylpiperidine

C19H23N — CID 134385649

IUPAC4-[(E)-2-(4-cyclopropylphenyl)ethenyl]-1-prop-2-ynylpiperidine
SMILESC#CCN1CCC(/C=C/c2ccc(C3CC3)cc2)CC1
InChIInChI=1S/C19H23N/c1-2-13-20-14-11-17(12-15-20)4-3-16-5-7-18(8-6-16)19-9-10-19/h1,3-8,17,19H,9-15H2/b4-3+
InChIKeyZXUYGLWTOBEVCF-ONEGZZNKSA-N
MW265.40 g/mol
LogP3.92
Rot. Bonds4

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

4-[(E)-2-(4-cyclopropylphenyl)ethenyl]-1-prop-2-ynylpiperidine (PubChem CID 134385649) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[(E)-2-(4-cyclopropylphenyl)ethenyl]-1-prop-2-ynylpiperidine.

Molecular Properties

Compound Name4-[(E)-2-(4-cyclopropylphenyl)ethenyl]-1-prop-2-ynylpiperidine
PubChem CID134385649
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name4-[(E)-2-(4-cyclopropylphenyl)ethenyl]-1-prop-2-ynylpiperidine
SMILESC#CCN1CCC(/C=C/c2ccc(C3CC3)cc2)CC1
InChIInChI=1S/C19H23N/c1-2-13-20-14-11-17(12-15-20)4-3-16-5-7-18(8-6-16)19-9-10-19/h1,3-8,17,19H,9-15H2/b4-3+
InChIKeyZXUYGLWTOBEVCF-ONEGZZNKSA-N
XLogP3.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.92
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

4-[(Z)-2-(4-fluorophenyl)ethenyl]-1-prop-2-ynylpiperidine
CID 155551843
1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene
CID 173068049
3-[(E)-2-(4-fluorocyclohexa-1,5-dien-1-yl)ethenyl]-1-prop-2-ynylpyrrolidine
CID 142308800
1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-heptylcyclohexyl)ethenyl]benzene
CID 173068307
4-[(E)-2-(1-methylpiperidin-4-yl)ethenyl]benzonitrile
CID 144554606
6-[4-[(E)-2-cyclopentylethenyl]phenyl]-13-(4-cyclopentylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 59005594
4-[1-(2-methylpropyl)piperidin-4-yl]benzaldehyde
CID 174870028
1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane
CID 90277190
4-[(E)-2-cyclopentylethenyl]benzaldehyde
CID 58749933
1-N-cyclohexyl-1-N-[4-(2-cyclohexylethenyl)phenyl]-4-N-phenyl-4-N-[4-(N-[4-[4-(N-phenylanilino)phenyl]cyclohexyl]anilino)phenyl]benzene-1,4-diamine
CID 89264560
1,4-bis[4-[(E)-2-chloroethenyl]cyclohexyl]benzene
CID 18656188
1-prop-2-ynyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 62881993

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-cyclopropylphenyl)ethenyl]-1-prop-2-ynylpiperidine?
The IUPAC name of 4-[(E)-2-(4-cyclopropylphenyl)ethenyl]-1-prop-2-ynylpiperidine (CID 134385649) is 4-[(E)-2-(4-cyclopropylphenyl)ethenyl]-1-prop-2-ynylpiperidine.
What is the SMILES notation for 4-[(E)-2-(4-cyclopropylphenyl)ethenyl]-1-prop-2-ynylpiperidine?
The canonical SMILES for 4-[(E)-2-(4-cyclopropylphenyl)ethenyl]-1-prop-2-ynylpiperidine is C#CCN1CCC(/C=C/c2ccc(C3CC3)cc2)CC1.
What is the InChIKey of 4-[(E)-2-(4-cyclopropylphenyl)ethenyl]-1-prop-2-ynylpiperidine?
The InChIKey is ZXUYGLWTOBEVCF-ONEGZZNKSA-N. The full InChI is InChI=1S/C19H23N/c1-2-13-20-14-11-17(12-15-20)4-3-16-5-7-18(8-6-16)19-9-10-19/h1,3-8,17,19H,9-15H2/b4-3+.
What are the key properties of 4-[(E)-2-(4-cyclopropylphenyl)ethenyl]-1-prop-2-ynylpiperidine?
4-[(E)-2-(4-cyclopropylphenyl)ethenyl]-1-prop-2-ynylpiperidine has a molecular weight of 265.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-cyclopropylphenyl)ethenyl]-1-prop-2-ynylpiperidine is sourced from PubChem (CID 134385649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).