4-(10H-anthracen-9-ylidene)-1-methylpiperidine

C20H21N — CID 10468648

IUPAC4-(10H-anthracen-9-ylidene)-1-methylpiperidine
SMILESCN1CCC(=C2c3ccccc3Cc3ccccc32)CC1
InChIInChI=1S/C20H21N/c1-21-12-10-15(11-13-21)20-18-8-4-2-6-16(18)14-17-7-3-5-9-19(17)20/h2-9H,10-14H2,1H3
InChIKeyZOARGTMABFXNDY-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.12
Rot. Bonds

About 4-(10H-anthracen-9-ylidene)-1-methylpiperidine

4-(10H-anthracen-9-ylidene)-1-methylpiperidine (PubChem CID 10468648) has the molecular formula C20H21N and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-(10H-anthracen-9-ylidene)-1-methylpiperidine.

Molecular Properties

Compound Name4-(10H-anthracen-9-ylidene)-1-methylpiperidine
PubChem CID10468648
Molecular FormulaC20H21N
Molecular Weight275.39 g/mol
Exact Mass275.17
IUPAC Name4-(10H-anthracen-9-ylidene)-1-methylpiperidine
SMILESCN1CCC(=C2c3ccccc3Cc3ccccc32)CC1
InChIInChI=1S/C20H21N/c1-21-12-10-15(11-13-21)20-18-8-4-2-6-16(18)14-17-7-3-5-9-19(17)20/h2-9H,10-14H2,1H3
InChIKeyZOARGTMABFXNDY-UHFFFAOYSA-N
XLogP4.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_B(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(10H-anthracen-9-ylidene)-1-methylpiperidine?
The IUPAC name of 4-(10H-anthracen-9-ylidene)-1-methylpiperidine (CID 10468648) is 4-(10H-anthracen-9-ylidene)-1-methylpiperidine.
What is the SMILES notation for 4-(10H-anthracen-9-ylidene)-1-methylpiperidine?
The canonical SMILES for 4-(10H-anthracen-9-ylidene)-1-methylpiperidine is CN1CCC(=C2c3ccccc3Cc3ccccc32)CC1.
What is the InChIKey of 4-(10H-anthracen-9-ylidene)-1-methylpiperidine?
The InChIKey is ZOARGTMABFXNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-21-12-10-15(11-13-21)20-18-8-4-2-6-16(18)14-17-7-3-5-9-19(17)20/h2-9H,10-14H2,1H3.
What are the key properties of 4-(10H-anthracen-9-ylidene)-1-methylpiperidine?
4-(10H-anthracen-9-ylidene)-1-methylpiperidine has a molecular weight of 275.39 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10H-anthracen-9-ylidene)-1-methylpiperidine is sourced from PubChem (CID 10468648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).