4-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]methyl]pyridine;dihydrochloride

C26H26Cl2N2 — CID 22991012

IUPAC4-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]methyl]pyridine;dihydrochloride
SMILESC1=Cc2ccccc2C(=C2CCN(Cc3ccncc3)CC2)c2ccccc21.Cl.Cl
InChIInChI=1S/C26H24N2.2ClH/c1-3-7-24-21(5-1)9-10-22-6-2-4-8-25(22)26(24)23-13-17-28(18-14-23)19-20-11-15-27-16-12-20;;/h1-12,15-16H,13-14,17-19H2;2*1H
InChIKeyTYDHNCSPWPKSDB-UHFFFAOYSA-N
MW437.41 g/mol
LogP6.51
Rot. Bonds2

About 4-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]methyl]pyridine;dihydrochloride

4-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]methyl]pyridine;dihydrochloride (PubChem CID 22991012) has the molecular formula C26H26Cl2N2 and a molecular weight of 437.41 g/mol. Its IUPAC name is 4-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]methyl]pyridine;dihydrochloride.

Molecular Properties

Compound Name4-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]methyl]pyridine;dihydrochloride
PubChem CID22991012
Molecular FormulaC26H26Cl2N2
Molecular Weight437.41 g/mol
Exact Mass436.15
IUPAC Name4-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]methyl]pyridine;dihydrochloride
SMILESC1=Cc2ccccc2C(=C2CCN(Cc3ccncc3)CC2)c2ccccc21.Cl.Cl
InChIInChI=1S/C26H24N2.2ClH/c1-3-7-24-21(5-1)9-10-22-6-2-4-8-25(22)26(24)23-13-17-28(18-14-23)19-20-11-15-27-16-12-20;;/h1-12,15-16H,13-14,17-19H2;2*1H
InChIKeyTYDHNCSPWPKSDB-UHFFFAOYSA-N
XLogP6.51
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.41
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]methyl]pyridine;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]methyl]pyridine;dihydrochloride?
The IUPAC name of 4-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]methyl]pyridine;dihydrochloride (CID 22991012) is 4-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]methyl]pyridine;dihydrochloride.
What is the SMILES notation for 4-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]methyl]pyridine;dihydrochloride?
The canonical SMILES for 4-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]methyl]pyridine;dihydrochloride is C1=Cc2ccccc2C(=C2CCN(Cc3ccncc3)CC2)c2ccccc21.Cl.Cl.
What is the InChIKey of 4-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]methyl]pyridine;dihydrochloride?
The InChIKey is TYDHNCSPWPKSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2.2ClH/c1-3-7-24-21(5-1)9-10-22-6-2-4-8-25(22)26(24)23-13-17-28(18-14-23)19-20-11-15-27-16-12-20;;/h1-12,15-16H,13-14,17-19H2;2*1H.
What are the key properties of 4-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]methyl]pyridine;dihydrochloride?
4-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]methyl]pyridine;dihydrochloride has a molecular weight of 437.41 g/mol, XLogP of 6.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]methyl]pyridine;dihydrochloride is sourced from PubChem (CID 22991012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).