2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carbonitrile

C22H20N2 — CID 15165712

IUPAC2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carbonitrile
SMILESCN1CCC(=C2c3ccccc3C=Cc3ccc(C#N)cc32)CC1
InChIInChI=1S/C22H20N2/c1-24-12-10-19(11-13-24)22-20-5-3-2-4-17(20)8-9-18-7-6-16(15-23)14-21(18)22/h2-9,14H,10-13H2,1H3
InChIKeyVQMCMVDCTCDPCA-UHFFFAOYSA-N
MW312.42 g/mol
LogP4.57
Rot. Bonds

About 2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carbonitrile

2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carbonitrile (PubChem CID 15165712) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carbonitrile.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carbonitrile
PubChem CID15165712
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carbonitrile
SMILESCN1CCC(=C2c3ccccc3C=Cc3ccc(C#N)cc32)CC1
InChIInChI=1S/C22H20N2/c1-24-12-10-19(11-13-24)22-20-5-3-2-4-17(20)8-9-18-7-6-16(15-23)14-21(18)22/h2-9,14H,10-13H2,1H3
InChIKeyVQMCMVDCTCDPCA-UHFFFAOYSA-N
XLogP4.57
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

but-2-enedioic acid;9-(1-methylpiperidin-4-ylidene)xanthene-2-carbonitrile
CID 70626988
1-bromo-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine
CID 44814805
tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carbonitrile
CID 152766237
4-(5-bromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)-1-methylpiperidine
CID 12909393
3-[4-(2-cyano-6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]propanoic acid;hydrate
CID 159876362
2-phenyl-6-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]hexanenitrile
CID 22990782
5,6-dimethoxy-1-[3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]-2,3-dihydroindene-1-carbonitrile
CID 22990998
1-[(3-methylphenyl)methyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine
CID 19792618
2-(1-methylpyrrol-2-yl)-5-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]pentanenitrile;hydrochloride
CID 22990740
1-methyl-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)ethylidene]piperidine
CID 15818607
9,10-dihydrophenanthrene-2-carbonitrile
CID 141332736
2-(3,4-dimethoxyphenyl)-2-[3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]heptanenitrile
CID 22990996

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carbonitrile?
The IUPAC name of 2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carbonitrile (CID 15165712) is 2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carbonitrile.
What is the SMILES notation for 2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carbonitrile?
The canonical SMILES for 2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carbonitrile is CN1CCC(=C2c3ccccc3C=Cc3ccc(C#N)cc32)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carbonitrile?
The InChIKey is VQMCMVDCTCDPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-24-12-10-19(11-13-24)22-20-5-3-2-4-17(20)8-9-18-7-6-16(15-23)14-21(18)22/h2-9,14H,10-13H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carbonitrile?
2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carbonitrile has a molecular weight of 312.42 g/mol, XLogP of 4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carbonitrile is sourced from PubChem (CID 15165712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).