piperidine;1-prop-2-enylphenanthrene

C22H25N — CID 174813552

IUPACpiperidine;1-prop-2-enylphenanthrene
SMILESC1CCNCC1.C=CCc1cccc2c1ccc1ccccc12
InChIInChI=1S/C17H14.C5H11N/c1-2-6-13-8-5-10-17-15-9-4-3-7-14(15)11-12-16(13)17;1-2-4-6-5-3-1/h2-5,7-12H,1,6H2;6H,1-5H2
InChIKeyQYGMOQKYUPLSBD-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.48
Rot. Bonds2

About piperidine;1-prop-2-enylphenanthrene

piperidine;1-prop-2-enylphenanthrene (PubChem CID 174813552) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is piperidine;1-prop-2-enylphenanthrene.

Molecular Properties

Compound Namepiperidine;1-prop-2-enylphenanthrene
PubChem CID174813552
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC Namepiperidine;1-prop-2-enylphenanthrene
SMILESC1CCNCC1.C=CCc1cccc2c1ccc1ccccc12
InChIInChI=1S/C17H14.C5H11N/c1-2-6-13-8-5-10-17-15-9-4-3-7-14(15)11-12-16(13)17;1-2-4-6-5-3-1/h2-5,7-12H,1,6H2;6H,1-5H2
InChIKeyQYGMOQKYUPLSBD-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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Centanafadine Hydrochloride
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Litracen
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4-(10H-anthracen-9-ylidene)-1-methyl-piperidine
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CID 44592243
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Frequently Asked Questions

What is the IUPAC name of piperidine;1-prop-2-enylphenanthrene?
The IUPAC name of piperidine;1-prop-2-enylphenanthrene (CID 174813552) is piperidine;1-prop-2-enylphenanthrene.
What is the SMILES notation for piperidine;1-prop-2-enylphenanthrene?
The canonical SMILES for piperidine;1-prop-2-enylphenanthrene is C1CCNCC1.C=CCc1cccc2c1ccc1ccccc12.
What is the InChIKey of piperidine;1-prop-2-enylphenanthrene?
The InChIKey is QYGMOQKYUPLSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14.C5H11N/c1-2-6-13-8-5-10-17-15-9-4-3-7-14(15)11-12-16(13)17;1-2-4-6-5-3-1/h2-5,7-12H,1,6H2;6H,1-5H2.
What are the key properties of piperidine;1-prop-2-enylphenanthrene?
piperidine;1-prop-2-enylphenanthrene has a molecular weight of 303.45 g/mol, XLogP of 5.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine;1-prop-2-enylphenanthrene is sourced from PubChem (CID 174813552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).