1-[(E)-2-methylidene-5-phenylpent-4-enyl]piperidine

C17H23N — CID 53360984

IUPAC1-[(E)-2-methylidene-5-phenylpent-4-enyl]piperidine
SMILESC=C(C/C=C/c1ccccc1)CN1CCCCC1
InChIInChI=1S/C17H23N/c1-16(15-18-13-6-3-7-14-18)9-8-12-17-10-4-2-5-11-17/h2,4-5,8,10-12H,1,3,6-7,9,13-15H2/b12-8+
InChIKeyOCZJZJVBFNOIAV-XYOKQWHBSA-N
MW241.38 g/mol
LogP4.13
Rot. Bonds5

About 1-[(E)-2-methylidene-5-phenylpent-4-enyl]piperidine

1-[(E)-2-methylidene-5-phenylpent-4-enyl]piperidine (PubChem CID 53360984) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-[(E)-2-methylidene-5-phenylpent-4-enyl]piperidine.

Molecular Properties

Compound Name1-[(E)-2-methylidene-5-phenylpent-4-enyl]piperidine
PubChem CID53360984
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name1-[(E)-2-methylidene-5-phenylpent-4-enyl]piperidine
SMILESC=C(C/C=C/c1ccccc1)CN1CCCCC1
InChIInChI=1S/C17H23N/c1-16(15-18-13-6-3-7-14-18)9-8-12-17-10-4-2-5-11-17/h2,4-5,8,10-12H,1,3,6-7,9,13-15H2/b12-8+
InChIKeyOCZJZJVBFNOIAV-XYOKQWHBSA-N
XLogP4.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
1-(2-benzylprop-2-enyl)piperidine
CID 53360886
1-[(Z)-2,3-diphenylprop-2-enyl]pyrrolidine
CID 11334542
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
1-[2-(1-phenylcyclopentyl)prop-2-enyl]piperidine
CID 130330382
1-[(E)-2-phenylethenyl]azepane
CID 146169339
N-(3-phenylprop-2-enyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 76950960
(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-ol
CID 30981598
(E)-2-methylidene-5-phenylpent-4-enoate
CID 22242504
1-(azepan-1-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 109030031
2-[2-[(E)-3-phenylprop-2-enyl]phenyl]-1-piperidin-1-ylethanone
CID 67755700
sodium 2-methylidene-5-phenylpent-4-enoate
CID 66780635

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-methylidene-5-phenylpent-4-enyl]piperidine?
The IUPAC name of 1-[(E)-2-methylidene-5-phenylpent-4-enyl]piperidine (CID 53360984) is 1-[(E)-2-methylidene-5-phenylpent-4-enyl]piperidine.
What is the SMILES notation for 1-[(E)-2-methylidene-5-phenylpent-4-enyl]piperidine?
The canonical SMILES for 1-[(E)-2-methylidene-5-phenylpent-4-enyl]piperidine is C=C(C/C=C/c1ccccc1)CN1CCCCC1.
What is the InChIKey of 1-[(E)-2-methylidene-5-phenylpent-4-enyl]piperidine?
The InChIKey is OCZJZJVBFNOIAV-XYOKQWHBSA-N. The full InChI is InChI=1S/C17H23N/c1-16(15-18-13-6-3-7-14-18)9-8-12-17-10-4-2-5-11-17/h2,4-5,8,10-12H,1,3,6-7,9,13-15H2/b12-8+.
What are the key properties of 1-[(E)-2-methylidene-5-phenylpent-4-enyl]piperidine?
1-[(E)-2-methylidene-5-phenylpent-4-enyl]piperidine has a molecular weight of 241.38 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-methylidene-5-phenylpent-4-enyl]piperidine is sourced from PubChem (CID 53360984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).